1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride

C14H19Cl2N3O2 — CID 119697609

IUPAC1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCNC(=O)C1CCN(C(=O)c2ccc(N)cc2Cl)CC1.Cl
InChIInChI=1S/C14H18ClN3O2.ClH/c1-17-13(19)9-4-6-18(7-5-9)14(20)11-3-2-10(16)8-12(11)15;/h2-3,8-9H,4-7,16H2,1H3,(H,17,19);1H
InChIKeyQZMRLTVSTGQEHN-UHFFFAOYSA-N
MW332.23 g/mol
LogP1.94
Rot. Bonds2

About 1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride

1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119697609) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID119697609
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCNC(=O)C1CCN(C(=O)c2ccc(N)cc2Cl)CC1.Cl
InChIInChI=1S/C14H18ClN3O2.ClH/c1-17-13(19)9-4-6-18(7-5-9)14(20)11-3-2-10(16)8-12(11)15;/h2-3,8-9H,4-7,16H2,1H3,(H,17,19);1H
InChIKeyQZMRLTVSTGQEHN-UHFFFAOYSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372653
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
CID 155098558
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887171
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 61110315
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride (CID 119697609) is 1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride is CNC(=O)C1CCN(C(=O)c2ccc(N)cc2Cl)CC1.Cl.
What is the InChIKey of 1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is QZMRLTVSTGQEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2.ClH/c1-17-13(19)9-4-6-18(7-5-9)14(20)11-3-2-10(16)8-12(11)15;/h2-3,8-9H,4-7,16H2,1H3,(H,17,19);1H.
What are the key properties of 1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 332.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119697609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).