N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C14H24ClN5O2 — CID 120919424

IUPACN-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCCNC(=O)CNC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C14H23N5O2.ClH/c1-2-6-16-12(20)11-17-13(21)14(4-8-15-9-5-14)19-10-3-7-18-19;/h3,7,10,15H,2,4-6,8-9,11H2,1H3,(H,16,20)(H,17,21);1H
InChIKeyUVNDFWLRPPQDPQ-UHFFFAOYSA-N
MW329.83 g/mol
LogP0.03
Rot. Bonds6

About N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120919424) has the molecular formula C14H24ClN5O2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120919424
Molecular FormulaC14H24ClN5O2
Molecular Weight329.83 g/mol
Exact Mass329.16
IUPAC NameN-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCCNC(=O)CNC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C14H23N5O2.ClH/c1-2-6-16-12(20)11-17-13(21)14(4-8-15-9-5-14)19-10-3-7-18-19;/h3,7,10,15H,2,4-6,8-9,11H2,1H3,(H,16,20)(H,17,21);1H
InChIKeyUVNDFWLRPPQDPQ-UHFFFAOYSA-N
XLogP0.03
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101
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-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940230
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921332
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940896
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930278
N-[(2-methylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924383
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120919424) is N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CCCNC(=O)CNC(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UVNDFWLRPPQDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2.ClH/c1-2-6-16-12(20)11-17-13(21)14(4-8-15-9-5-14)19-10-3-7-18-19;/h3,7,10,15H,2,4-6,8-9,11H2,1H3,(H,16,20)(H,17,21);1H.
What are the key properties of N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120919424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).