1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide

C21H28N4O2 — CID 155876344

IUPAC1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1(n2cccn2)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C21H28N4O2/c26-20(23-19-5-2-1-3-6-19)21(25-12-4-11-22-25)9-13-24(14-10-21)17-18-7-15-27-16-8-18/h1-6,11-12,18H,7-10,13-17H2,(H,23,26)
InChIKeyGGKLPBHMJBRVSQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.74
Rot. Bonds5

About 1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide

1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 155876344) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID155876344
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1(n2cccn2)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C21H28N4O2/c26-20(23-19-5-2-1-3-6-19)21(25-12-4-11-22-25)9-13-24(14-10-21)17-18-7-15-27-16-8-18/h1-6,11-12,18H,7-10,13-17H2,(H,23,26)
InChIKeyGGKLPBHMJBRVSQ-UHFFFAOYSA-N
XLogP2.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 131638814
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120939296
4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid
CID 171693395
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N,N-dimethyl-1-[2-(oxan-4-yl)acetyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873079
N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746900
1-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 126946622
(4R)-8-(oxan-4-ylmethyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97384049
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 155876344) is 1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1(n2cccn2)CCN(CC2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is GGKLPBHMJBRVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(23-19-5-2-1-3-6-19)21(25-12-4-11-22-25)9-13-24(14-10-21)17-18-7-15-27-16-8-18/h1-6,11-12,18H,7-10,13-17H2,(H,23,26).
What are the key properties of 1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-N-phenyl-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155876344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).