N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide

C22H27N3O4 — CID 108557870

IUPACN-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-28-19-8-6-16(15-20(19)29-2)7-9-21(26)25-13-10-17(11-14-25)24-22(27)18-5-3-4-12-23-18/h3-6,8,12,15,17H,7,9-11,13-14H2,1-2H3,(H,24,27)
InChIKeyFGSYLNVXKRFWFO-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.45
Rot. Bonds7

About N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide

N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 108557870) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID108557870
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-28-19-8-6-16(15-20(19)29-2)7-9-21(26)25-13-10-17(11-14-25)24-22(27)18-5-3-4-12-23-18/h3-6,8,12,15,17H,7,9-11,13-14H2,1-2H3,(H,24,27)
InChIKeyFGSYLNVXKRFWFO-UHFFFAOYSA-N
XLogP2.45
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549245
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554742
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555048
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide
CID 108549384
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2,4-difluorobenzamide
CID 108566527
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-3-methylbutanamide
CID 108549572
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185238
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide (CID 108557870) is N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide is COc1ccc(CCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)cc1OC.
What is the InChIKey of N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is FGSYLNVXKRFWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-19-8-6-16(15-20(19)29-2)7-9-21(26)25-13-10-17(11-14-25)24-22(27)18-5-3-4-12-23-18/h3-6,8,12,15,17H,7,9-11,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide?
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.45, 7 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]pyridine-2-carboxamide is sourced from PubChem (CID 108557870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).