[1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone

C70H79N5O7 — CID 134203206

IUPAC[1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone
SMILESCOc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3Cc3ccccc3C3CC(N4CCN(CC5CC(N6CCCC(C(=O)c7ccc8c(CO)c(OC)ccc8c7)C6)C5)C(C(=O)c5ccc6cc(OC)ccc6c5)C4)C3)ccc2c1
InChIInChI=1S/C70H79N5O7/c1-80-60-21-17-46-32-52(15-13-48(46)37-60)69(78)65-43-73(27-28-74(65)39-45-30-58(31-45)71-25-7-9-55(41-71)68(77)51-19-23-63-50(34-51)20-24-67(82-3)64(63)44-76)59-35-56(36-59)62-12-5-4-8-54(62)40-75-29-26-72(57-10-6-11-57)42-66(75)70(79)53-16-14-49-38-61(81-2)22-18-47(49)33-53/h4-5,8,12-24,32-34,37-38,45,55-59,65-66,76H,6-7,9-11,25-31,35-36,39-44H2,1-3H3
InChIKeyYVPFEDLWKMXZEX-UHFFFAOYSA-N
MW1102.43 g/mol
LogP11.07
Rot. Bonds18

About [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone

[1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone (PubChem CID 134203206) has the molecular formula C70H79N5O7 and a molecular weight of 1102.43 g/mol. Its IUPAC name is [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone.

Molecular Properties

Compound Name[1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone
PubChem CID134203206
Molecular FormulaC70H79N5O7
Molecular Weight1102.43 g/mol
Exact Mass1101.60
IUPAC Name[1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone
SMILESCOc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3Cc3ccccc3C3CC(N4CCN(CC5CC(N6CCCC(C(=O)c7ccc8c(CO)c(OC)ccc8c7)C6)C5)C(C(=O)c5ccc6cc(OC)ccc6c5)C4)C3)ccc2c1
InChIInChI=1S/C70H79N5O7/c1-80-60-21-17-46-32-52(15-13-48(46)37-60)69(78)65-43-73(27-28-74(65)39-45-30-58(31-45)71-25-7-9-55(41-71)68(77)51-19-23-63-50(34-51)20-24-67(82-3)64(63)44-76)59-35-56(36-59)62-12-5-4-8-54(62)40-75-29-26-72(57-10-6-11-57)42-66(75)70(79)53-16-14-49-38-61(81-2)22-18-47(49)33-53/h4-5,8,12-24,32-34,37-38,45,55-59,65-66,76H,6-7,9-11,25-31,35-36,39-44H2,1-3H3
InChIKeyYVPFEDLWKMXZEX-UHFFFAOYSA-N
XLogP11.07
TPSA115.33 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001102.43
LogP ≤ 511.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone with MolForge

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Related Compounds

[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 145118733
[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane
CID 145118967
(1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone
CID 134203197
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
2-[6-[(3S,4S)-1-cyclobutyl-4-methylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479197
2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479119
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
CID 121479074
3-(1-cyclobutylpiperidine-3-carbonyl)naphthalene-1-carboxamide;(1-cyclobutylpiperidin-3-yl)-(6-methoxy-5-methylnaphthalen-2-yl)methanone;3-(1-cyclopentylpiperidine-3-carbonyl)naphthalene-1-carboxamide;(1-cyclopentylpiperidin-3-yl)-(6-methoxy-5-methylnaphthalen-2-yl)methanone;2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalene-1-carboxamide;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone;(6-methoxy-5-methylnaphthalen-2-yl)-(1-propylpiperidin-3-yl)methanone
CID 159171276
[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479211
[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]-(6-methylnaphthalen-2-yl)methanone
CID 138739971
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone?
The IUPAC name of [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone (CID 134203206) is [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone.
What is the SMILES notation for [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone?
The canonical SMILES for [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone is COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3Cc3ccccc3C3CC(N4CCN(CC5CC(N6CCCC(C(=O)c7ccc8c(CO)c(OC)ccc8c7)C6)C5)C(C(=O)c5ccc6cc(OC)ccc6c5)C4)C3)ccc2c1.
What is the InChIKey of [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone?
The InChIKey is YVPFEDLWKMXZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H79N5O7/c1-80-60-21-17-46-32-52(15-13-48(46)37-60)69(78)65-43-73(27-28-74(65)39-45-30-58(31-45)71-25-7-9-55(41-71)68(77)51-19-23-63-50(34-51)20-24-67(82-3)64(63)44-76)59-35-56(36-59)62-12-5-4-8-54(62)40-75-29-26-72(57-10-6-11-57)42-66(75)70(79)53-16-14-49-38-61(81-2)22-18-47(49)33-53/h4-5,8,12-24,32-34,37-38,45,55-59,65-66,76H,6-7,9-11,25-31,35-36,39-44H2,1-3H3.
What are the key properties of [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone?
[1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone has a molecular weight of 1102.43 g/mol, XLogP of 11.07, 18 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone is sourced from PubChem (CID 134203206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).