N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C23H27ClN4O — CID 120919191

IUPACN-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(c1ccccc1)c1ccccc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C23H26N4O.ClH/c28-22(23(12-15-24-16-13-23)27-17-7-14-26-27)25-18-21(19-8-3-1-4-9-19)20-10-5-2-6-11-20;/h1-11,14,17,21,24H,12-13,15-16,18H2,(H,25,28);1H
InChIKeyFACJMHSIDWTFOE-UHFFFAOYSA-N
MW410.95 g/mol
LogP3.33
Rot. Bonds6

About N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120919191) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120919191
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC NameN-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(c1ccccc1)c1ccccc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C23H26N4O.ClH/c28-22(23(12-15-24-16-13-23)27-17-7-14-26-27)25-18-21(19-8-3-1-4-9-19)20-10-5-2-6-11-20;/h1-11,14,17,21,24H,12-13,15-16,18H2,(H,25,28);1H
InChIKeyFACJMHSIDWTFOE-UHFFFAOYSA-N
XLogP3.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930429
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924924
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120937887
N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935923
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935683
N-[2-(benzenesulfonamido)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921380
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120919191) is N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NCC(c1ccccc1)c1ccccc1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FACJMHSIDWTFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O.ClH/c28-22(23(12-15-24-16-13-23)27-17-7-14-26-27)25-18-21(19-8-3-1-4-9-19)20-10-5-2-6-11-20;/h1-11,14,17,21,24H,12-13,15-16,18H2,(H,25,28);1H.
What are the key properties of N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120919191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).