N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C21H24ClN5O2 — CID 120930278

IUPACN-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(CNC(=O)C1(n2cccn2)CCNCC1)Nc1cccc2ccccc12
InChIInChI=1S/C21H23N5O2.ClH/c27-19(25-18-8-3-6-16-5-1-2-7-17(16)18)15-23-20(28)21(9-12-22-13-10-21)26-14-4-11-24-26;/h1-8,11,14,22H,9-10,12-13,15H2,(H,23,28)(H,25,27);1H
InChIKeyNJIVCTPDEUOAOM-UHFFFAOYSA-N
MW413.91 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120930278) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120930278
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC NameN-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(CNC(=O)C1(n2cccn2)CCNCC1)Nc1cccc2ccccc12
InChIInChI=1S/C21H23N5O2.ClH/c27-19(25-18-8-3-6-16-5-1-2-7-17(16)18)15-23-20(28)21(9-12-22-13-10-21)26-14-4-11-24-26;/h1-8,11,14,22H,9-10,12-13,15H2,(H,23,28)(H,25,27);1H
InChIKeyNJIVCTPDEUOAOM-UHFFFAOYSA-N
XLogP2.29
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918698
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929446
N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101
4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
CID 120630106
N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120943007
N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919791
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930477
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936717
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777

Frequently Asked Questions

What is the IUPAC name of N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120930278) is N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(CNC(=O)C1(n2cccn2)CCNCC1)Nc1cccc2ccccc12.
What is the InChIKey of N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is NJIVCTPDEUOAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.ClH/c27-19(25-18-8-3-6-16-5-1-2-7-17(16)18)15-23-20(28)21(9-12-22-13-10-21)26-14-4-11-24-26;/h1-8,11,14,22H,9-10,12-13,15H2,(H,23,28)(H,25,27);1H.
What are the key properties of N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 413.91 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120930278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).