[4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone

C27H36N4O4 — CID 42867342

IUPAC[4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOCCN1CCN(C(=O)c2ccc(C)nc2C2CCN(C(=O)c3cccc(OC)c3)CC2)CC1
InChIInChI=1S/C27H36N4O4/c1-20-7-8-24(27(33)31-15-13-29(14-16-31)17-18-34-2)25(28-20)21-9-11-30(12-10-21)26(32)22-5-4-6-23(19-22)35-3/h4-8,19,21H,9-18H2,1-3H3
InChIKeyAAEPOVHZEMSSGN-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.82
Rot. Bonds7

About [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone

[4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 42867342) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID42867342
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC Name[4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOCCN1CCN(C(=O)c2ccc(C)nc2C2CCN(C(=O)c3cccc(OC)c3)CC2)CC1
InChIInChI=1S/C27H36N4O4/c1-20-7-8-24(27(33)31-15-13-29(14-16-31)17-18-34-2)25(28-20)21-9-11-30(12-10-21)26(32)22-5-4-6-23(19-22)35-3/h4-8,19,21H,9-18H2,1-3H3
InChIKeyAAEPOVHZEMSSGN-UHFFFAOYSA-N
XLogP2.82
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone with MolForge

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Related Compounds

[2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 42867580
[4-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46068533
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42867222
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 23905789
[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 42852196
N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 46068395
[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46068578
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 42867342) is [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone is COCCN1CCN(C(=O)c2ccc(C)nc2C2CCN(C(=O)c3cccc(OC)c3)CC2)CC1.
What is the InChIKey of [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is AAEPOVHZEMSSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-20-7-8-24(27(33)31-15-13-29(14-16-31)17-18-34-2)25(28-20)21-9-11-30(12-10-21)26(32)22-5-4-6-23(19-22)35-3/h4-8,19,21H,9-18H2,1-3H3.
What are the key properties of [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
[4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 480.61 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 42867342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).