1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

C24H30N2O5 — CID 132667894

IUPAC1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C24H30N2O5/c1-16(17-5-8-20(29-2)9-6-17)25-23(27)18-11-13-26(14-12-18)24(28)19-7-10-21(30-3)22(15-19)31-4/h5-10,15-16,18H,11-14H2,1-4H3,(H,25,27)
InChIKeyKVOLNWDSBPUARD-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.44
Rot. Bonds7

About 1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 132667894) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID132667894
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C24H30N2O5/c1-16(17-5-8-20(29-2)9-6-17)25-23(27)18-11-13-26(14-12-18)24(28)19-7-10-21(30-3)22(15-19)31-4/h5-10,15-16,18H,11-14H2,1-4H3,(H,25,27)
InChIKeyKVOLNWDSBPUARD-UHFFFAOYSA-N
XLogP3.44
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 97105682
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 2920925
1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 28551314
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 43873049
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
1-(4-bromobenzoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 46413518
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 28551597
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 132667894) is 1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of 1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is KVOLNWDSBPUARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-16(17-5-8-20(29-2)9-6-17)25-23(27)18-11-13-26(14-12-18)24(28)19-7-10-21(30-3)22(15-19)31-4/h5-10,15-16,18H,11-14H2,1-4H3,(H,25,27).
What are the key properties of 1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 132667894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).