N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

C23H29N3O4 — CID 108924721

IUPACN-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(CNC(=O)c3cccnc3)CC2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-29-20-7-5-17(14-21(20)30-2)6-8-22(27)26-12-9-18(10-13-26)15-25-23(28)19-4-3-11-24-16-19/h3-5,7,11,14,16,18H,6,8-10,12-13,15H2,1-2H3,(H,25,28)
InChIKeySWKQLWFZUWGXEC-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.70
Rot. Bonds8

About N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 108924721) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID108924721
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(CNC(=O)c3cccnc3)CC2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-29-20-7-5-17(14-21(20)30-2)6-8-22(27)26-12-9-18(10-13-26)15-25-23(28)19-4-3-11-24-16-19/h3-5,7,11,14,16,18H,6,8-10,12-13,15H2,1-2H3,(H,25,28)
InChIKeySWKQLWFZUWGXEC-UHFFFAOYSA-N
XLogP2.70
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924781
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110420802
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924675
N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935464
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 112994012
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 108924721) is N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is COc1ccc(CCC(=O)N2CCC(CNC(=O)c3cccnc3)CC2)cc1OC.
What is the InChIKey of N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is SWKQLWFZUWGXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-29-20-7-5-17(14-21(20)30-2)6-8-22(27)26-12-9-18(10-13-26)15-25-23(28)19-4-3-11-24-16-19/h3-5,7,11,14,16,18H,6,8-10,12-13,15H2,1-2H3,(H,25,28).
What are the key properties of N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108924721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).