N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C21H30N4O — CID 120935683

IUPACN-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1(n2cccn2)CCNCC1)c1ccccc1
InChIInChI=1S/C21H30N4O/c1-3-20(4-2,18-9-6-5-7-10-18)17-23-19(26)21(11-14-22-15-12-21)25-16-8-13-24-25/h5-10,13,16,22H,3-4,11-12,14-15,17H2,1-2H3,(H,23,26)
InChIKeyKTTBKYQLBQNELK-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.84
Rot. Bonds7

About N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120935683) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120935683
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1(n2cccn2)CCNCC1)c1ccccc1
InChIInChI=1S/C21H30N4O/c1-3-20(4-2,18-9-6-5-7-10-18)17-23-19(26)21(11-14-22-15-12-21)25-16-8-13-24-25/h5-10,13,16,22H,3-4,11-12,14-15,17H2,1-2H3,(H,23,26)
InChIKeyKTTBKYQLBQNELK-UHFFFAOYSA-N
XLogP2.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926251
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930774
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-(2-methoxy-2-methylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933453
N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931395
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120935683) is N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is CCC(CC)(CNC(=O)C1(n2cccn2)CCNCC1)c1ccccc1.
What is the InChIKey of N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is KTTBKYQLBQNELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-20(4-2,18-9-6-5-7-10-18)17-23-19(26)21(11-14-22-15-12-21)25-16-8-13-24-25/h5-10,13,16,22H,3-4,11-12,14-15,17H2,1-2H3,(H,23,26).
What are the key properties of N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120935683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).