1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

C19H23N5O — CID 86865530

IUPAC1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)cn1
InChIInChI=1S/C19H23N5O/c1-2-24-14-18(12-21-24)22-19(25)17-7-9-23(10-8-17)13-16-5-3-15(11-20)4-6-16/h3-6,12,14,17H,2,7-10,13H2,1H3,(H,22,25)
InChIKeyAFHGCIBYDVAXCH-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.63
Rot. Bonds5

About 1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 86865530) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID86865530
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)cn1
InChIInChI=1S/C19H23N5O/c1-2-24-14-18(12-21-24)22-19(25)17-7-9-23(10-8-17)13-16-5-3-15(11-20)4-6-16/h3-6,12,14,17H,2,7-10,13H2,1H3,(H,22,25)
InChIKeyAFHGCIBYDVAXCH-UHFFFAOYSA-N
XLogP2.63
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
1-(5-chloropyrimidin-2-yl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 71980297
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86865505
N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 47813826
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
2-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]pyridine-2,5-dicarboxamide
CID 56654434
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530
N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 86882196
N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 86865510
N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147578
N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide
CID 86884569

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (CID 86865530) is 1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)cn1.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is AFHGCIBYDVAXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-24-14-18(12-21-24)22-19(25)17-7-9-23(10-8-17)13-16-5-3-15(11-20)4-6-16/h3-6,12,14,17H,2,7-10,13H2,1H3,(H,22,25).
What are the key properties of 1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86865530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).