1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide

C24H26N4O2 — CID 24791518

IUPAC1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(CN2CCC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2)c1
InChIInChI=1S/C24H26N4O2/c1-17(29)20-5-2-4-18(14-20)16-28-12-9-19(10-13-28)24(30)26-22-7-3-6-21(15-22)23-8-11-25-27-23/h2-8,11,14-15,19H,9-10,12-13,16H2,1H3,(H,25,27)(H,26,30)
InChIKeyKANBSCGXMWOAKD-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.13
Rot. Bonds6

About 1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide

1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 24791518) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID24791518
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(CN2CCC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2)c1
InChIInChI=1S/C24H26N4O2/c1-17(29)20-5-2-4-18(14-20)16-28-12-9-19(10-13-28)24(30)26-22-7-3-6-21(15-22)23-8-11-25-27-23/h2-8,11,14-15,19H,9-10,12-13,16H2,1H3,(H,25,27)(H,26,30)
InChIKeyKANBSCGXMWOAKD-UHFFFAOYSA-N
XLogP4.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-((3-(prop-2-enoylamino)benzoyl)amino)phenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 131704492
N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 164621314
N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850362
N-(4-acetylphenyl)-1H-pyrazole-3-carboxamide
CID 3241848
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide
CID 9950390
N-benzyl-3-[(4-methyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide
CID 11502159
N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide
CID 11617898
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-fluoro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995073
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methyl-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995074
1-[2-amino-4-(1H-pyrazol-3-yl)phenyl]-2-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]ethane-1,2-dione
CID 44191579

Frequently Asked Questions

What is the IUPAC name of 1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide (CID 24791518) is 1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide is CC(=O)c1cccc(CN2CCC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2)c1.
What is the InChIKey of 1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is KANBSCGXMWOAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17(29)20-5-2-4-18(14-20)16-28-12-9-19(10-13-28)24(30)26-22-7-3-6-21(15-22)23-8-11-25-27-23/h2-8,11,14-15,19H,9-10,12-13,16H2,1H3,(H,25,27)(H,26,30).
What are the key properties of 1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24791518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).