N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C19H26ClN5O2 — CID 120934302

IUPACN-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(CC(=O)NCc1ccccc1)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-23(15-17(25)21-14-16-6-3-2-4-7-16)18(26)19(8-11-20-12-9-19)24-13-5-10-22-24;/h2-7,10,13,20H,8-9,11-12,14-15H2,1H3,(H,21,25);1H
InChIKeyXRIMZPHEWFDIMQ-UHFFFAOYSA-N
MW391.90 g/mol
LogP1.16
Rot. Bonds6

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

N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120934302) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120934302
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(CC(=O)NCc1ccccc1)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-23(15-17(25)21-14-16-6-3-2-4-7-16)18(26)19(8-11-20-12-9-19)24-13-5-10-22-24;/h2-7,10,13,20H,8-9,11-12,14-15H2,1H3,(H,21,25);1H
InChIKeyXRIMZPHEWFDIMQ-UHFFFAOYSA-N
XLogP1.16
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918606
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925548
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920344
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930880
N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675
N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265
N-(cyclopropylmethyl)-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926211
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918668
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120934302) is N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CN(CC(=O)NCc1ccccc1)C(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is XRIMZPHEWFDIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.ClH/c1-23(15-17(25)21-14-16-6-3-2-4-7-16)18(26)19(8-11-20-12-9-19)24-13-5-10-22-24;/h2-7,10,13,20H,8-9,11-12,14-15H2,1H3,(H,21,25);1H.
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120934302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).