N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H23Cl2N5O2 — CID 120925548

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C18H22ClN5O2.ClH/c1-23(13-16(25)22-15-5-2-4-14(19)12-15)17(26)18(6-9-20-10-7-18)24-11-3-8-21-24;/h2-5,8,11-12,20H,6-7,9-10,13H2,1H3,(H,22,25);1H
InChIKeyWBEKJMHHKYCOJC-UHFFFAOYSA-N
MW412.32 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120925548) has the molecular formula C18H23Cl2N5O2 and a molecular weight of 412.32 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120925548
Molecular FormulaC18H23Cl2N5O2
Molecular Weight412.32 g/mol
Exact Mass411.12
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C18H22ClN5O2.ClH/c1-23(13-16(25)22-15-5-2-4-14(19)12-15)17(26)18(6-9-20-10-7-18)24-11-3-8-21-24;/h2-5,8,11-12,20H,6-7,9-10,13H2,1H3,(H,22,25);1H
InChIKeyWBEKJMHHKYCOJC-UHFFFAOYSA-N
XLogP2.13
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920344
N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934302
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918668
1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119294398
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930880
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929772
N-(cyclopropylmethyl)-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926211
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927555
(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294392
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120925548) is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is WBEKJMHHKYCOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2.ClH/c1-23(13-16(25)22-15-5-2-4-14(19)12-15)17(26)18(6-9-20-10-7-18)24-11-3-8-21-24;/h2-5,8,11-12,20H,6-7,9-10,13H2,1H3,(H,22,25);1H.
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 412.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120925548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).