N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H22N4O2 — CID 120932209

IUPACN-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C1CCCc2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc21
InChIInChI=1S/C19H22N4O2/c24-17-4-1-3-14-5-6-15(13-16(14)17)22-18(25)19(7-10-20-11-8-19)23-12-2-9-21-23/h2,5-6,9,12-13,20H,1,3-4,7-8,10-11H2,(H,22,25)
InChIKeyAKEDXPRUIMKRMY-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.12
Rot. Bonds3

About N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120932209) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120932209
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C1CCCc2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc21
InChIInChI=1S/C19H22N4O2/c24-17-4-1-3-14-5-6-15(13-16(14)17)22-18(25)19(7-10-20-11-8-19)23-12-2-9-21-23/h2,5-6,9,12-13,20H,1,3-4,7-8,10-11H2,(H,22,25)
InChIKeyAKEDXPRUIMKRMY-UHFFFAOYSA-N
XLogP2.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922191
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930811
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919261
N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926534
N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921174
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072

Frequently Asked Questions

What is the IUPAC name of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120932209) is N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C1CCCc2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc21.
What is the InChIKey of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is AKEDXPRUIMKRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-17-4-1-3-14-5-6-15(13-16(14)17)22-18(25)19(7-10-20-11-8-19)23-12-2-9-21-23/h2,5-6,9,12-13,20H,1,3-4,7-8,10-11H2,(H,22,25).
What are the key properties of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120932209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).