N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride

C14H19Cl2N3O2 — CID 119302426

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(CNC(=O)C1CCCCN1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2.ClH/c15-10-4-6-11(7-5-10)18-13(19)9-17-14(20)12-3-1-2-8-16-12;/h4-7,12,16H,1-3,8-9H2,(H,17,20)(H,18,19);1H
InChIKeyGDSKOOQBFLSPSD-UHFFFAOYSA-N
MW332.23 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride

N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119302426) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119302426
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(CNC(=O)C1CCCCN1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2.ClH/c15-10-4-6-11(7-5-10)18-13(19)9-17-14(20)12-3-1-2-8-16-12;/h4-7,12,16H,1-3,8-9H2,(H,17,20)(H,18,19);1H
InChIKeyGDSKOOQBFLSPSD-UHFFFAOYSA-N
XLogP1.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 119305288
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119312039
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119312487
(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
CID 119871472
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 119297979
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
CID 119297349
(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703628
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride (CID 119302426) is N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(CNC(=O)C1CCCCN1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is GDSKOOQBFLSPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2.ClH/c15-10-4-6-11(7-5-10)18-13(19)9-17-14(20)12-3-1-2-8-16-12;/h4-7,12,16H,1-3,8-9H2,(H,17,20)(H,18,19);1H.
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 332.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119302426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).