N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide

C21H25N3O3 — CID 47836658

IUPACN-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(CCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-27-19-6-2-4-16(14-19)7-8-20(25)24-12-9-18(10-13-24)23-21(26)17-5-3-11-22-15-17/h2-6,11,14-15,18H,7-10,12-13H2,1H3,(H,23,26)
InChIKeyAJLOIGDCAJRPRR-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.44
Rot. Bonds6

About N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47836658) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47836658
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(CCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-27-19-6-2-4-16(14-19)7-8-20(25)24-12-9-18(10-13-24)23-21(26)17-5-3-11-22-15-17/h2-6,11,14-15,18H,7-10,12-13H2,1H3,(H,23,26)
InChIKeyAJLOIGDCAJRPRR-UHFFFAOYSA-N
XLogP2.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
N-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924893
N-[1-[2-(3-bromophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924895
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110822080
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548470
N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924721
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide (CID 47836658) is N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide is COc1cccc(CCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is AJLOIGDCAJRPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-6-2-4-16(14-19)7-8-20(25)24-12-9-18(10-13-24)23-21(26)17-5-3-11-22-15-17/h2-6,11,14-15,18H,7-10,12-13H2,1H3,(H,23,26).
What are the key properties of N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47836658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).