1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide

C18H22N4O2 — CID 75461943

IUPAC1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccn[nH]2)(c2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c1-14(23)22-11-8-18(9-12-22,15-5-3-2-4-6-15)17(24)19-13-16-7-10-20-21-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,24)(H,20,21)
InChIKeyHGWIWVUFYOGYGT-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.61
Rot. Bonds4

About 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide

1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 75461943) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID75461943
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccn[nH]2)(c2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c1-14(23)22-11-8-18(9-12-22,15-5-3-2-4-6-15)17(24)19-13-16-7-10-20-21-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,24)(H,20,21)
InChIKeyHGWIWVUFYOGYGT-UHFFFAOYSA-N
XLogP1.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 122703588
8-[[4-fluoro-3-[4-(1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 124221381
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-phenylethyl)-1H-pyrazole-5-carboxamide
CID 3221281
1-(2-{[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]amino}ethyl)piperidine-3-carboxamide
CID 16191029
1-(3-{[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]amino}propyl)piperidine-3-carboxamide
CID 16191459
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24793170
4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-methylphthalazin-1-one
CID 44522118
N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 44522206

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide (CID 75461943) is 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2ccn[nH]2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HGWIWVUFYOGYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14(23)22-11-8-18(9-12-22,15-5-3-2-4-6-15)17(24)19-13-16-7-10-20-21-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,24)(H,20,21).
What are the key properties of 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 75461943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).