N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide

C20H29N3O4 — CID 119330538

IUPACN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)C3CCCNC3)CC2)cc1OC
InChIInChI=1S/C20H29N3O4/c1-26-17-6-5-14(12-18(17)27-2)20(25)23-10-7-16(8-11-23)22-19(24)15-4-3-9-21-13-15/h5-6,12,15-16,21H,3-4,7-11,13H2,1-2H3,(H,22,24)
InChIKeyUAIRAFBUIAYYPI-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.42
Rot. Bonds5

About N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide

N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 119330538) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID119330538
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)C3CCCNC3)CC2)cc1OC
InChIInChI=1S/C20H29N3O4/c1-26-17-6-5-14(12-18(17)27-2)20(25)23-10-7-16(8-11-23)22-19(24)15-4-3-9-21-13-15/h5-6,12,15-16,21H,3-4,7-11,13H2,1-2H3,(H,22,24)
InChIKeyUAIRAFBUIAYYPI-UHFFFAOYSA-N
XLogP1.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
1-(3,5-dimethoxybenzoyl)-N-piperidin-3-ylpiperidine-4-carboxamide
CID 119427113
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552495
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide
CID 119330522
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675
(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
CID 108935721
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
(E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide
CID 108935727
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018
2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155957395
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide (CID 119330538) is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide is COc1ccc(C(=O)N2CCC(NC(=O)C3CCCNC3)CC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is UAIRAFBUIAYYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-17-6-5-14(12-18(17)27-2)20(25)23-10-7-16(8-11-23)22-19(24)15-4-3-9-21-13-15/h5-6,12,15-16,21H,3-4,7-11,13H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 119330538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).