1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

C24H30N2O5 — CID 55719859

IUPAC1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1
InChIInChI=1S/C24H30N2O5/c1-25(16-17-5-7-20(29-2)8-6-17)23(27)18-9-11-26(12-10-18)24(28)19-13-21(30-3)15-22(14-19)31-4/h5-8,13-15,18H,9-12,16H2,1-4H3
InChIKeyAMSVOTCWFSFVAP-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.22
Rot. Bonds7

About 1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55719859) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID55719859
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1
InChIInChI=1S/C24H30N2O5/c1-25(16-17-5-7-20(29-2)8-6-17)23(27)18-9-11-26(12-10-18)24(28)19-13-21(30-3)15-22(14-19)31-4/h5-8,13-15,18H,9-12,16H2,1-4H3
InChIKeyAMSVOTCWFSFVAP-UHFFFAOYSA-N
XLogP3.22
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 55720074
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260
1-benzoyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110307099
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
1-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-N-pentylpiperidine-4-carboxamide
CID 55756635
N-[(4-methoxyphenyl)methyl]-N,1-dimethylpiperidine-3-carboxamide
CID 132649734
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 31238759
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 24641378
methyl 3-[benzyl-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]propanoate
CID 55758858
N-cyclopropyl-1-(furan-3-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35734927
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26891230

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 55719859) is 1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is COc1ccc(CN(C)C(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is AMSVOTCWFSFVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-25(16-17-5-7-20(29-2)8-6-17)23(27)18-9-11-26(12-10-18)24(28)19-13-21(30-3)15-22(14-19)31-4/h5-8,13-15,18H,9-12,16H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55719859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).