[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone

C29H38N2O4 — CID 23790808

IUPAC[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(CCCC3CCN(C(=O)c4cccc(OC)c4)CC3)CC2)c1
InChIInChI=1S/C29H38N2O4/c1-34-26-10-4-8-24(20-26)28(32)30-16-12-22(13-17-30)6-3-7-23-14-18-31(19-15-23)29(33)25-9-5-11-27(21-25)35-2/h4-5,8-11,20-23H,3,6-7,12-19H2,1-2H3
InChIKeyIINWNTSLHURDLL-UHFFFAOYSA-N
MW478.63 g/mol
LogP5.28
Rot. Bonds8

About [4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone

[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 23790808) has the molecular formula C29H38N2O4 and a molecular weight of 478.63 g/mol. Its IUPAC name is [4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID23790808
Molecular FormulaC29H38N2O4
Molecular Weight478.63 g/mol
Exact Mass478.28
IUPAC Name[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(CCCC3CCN(C(=O)c4cccc(OC)c4)CC3)CC2)c1
InChIInChI=1S/C29H38N2O4/c1-34-26-10-4-8-24(20-26)28(32)30-16-12-22(13-17-30)6-3-7-23-14-18-31(19-15-23)29(33)25-9-5-11-27(21-25)35-2/h4-5,8-11,20-23H,3,6-7,12-19H2,1-2H3
InChIKeyIINWNTSLHURDLL-UHFFFAOYSA-N
XLogP5.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 53037993
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
tert-butyl N-[3-[[1-(3-methoxybenzoyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919237

Frequently Asked Questions

What is the IUPAC name of [4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 23790808) is [4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC(CCCC3CCN(C(=O)c4cccc(OC)c4)CC3)CC2)c1.
What is the InChIKey of [4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is IINWNTSLHURDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O4/c1-34-26-10-4-8-24(20-26)28(32)30-16-12-22(13-17-30)6-3-7-23-14-18-31(19-15-23)29(33)25-9-5-11-27(21-25)35-2/h4-5,8-11,20-23H,3,6-7,12-19H2,1-2H3.
What are the key properties of [4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 478.63 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 23790808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).