1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide

C13H16ClN3O2 — CID 63660702

IUPAC1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2c(N)cccc2Cl)CC1
InChIInChI=1S/C13H16ClN3O2/c14-9-2-1-3-10(15)11(9)13(19)17-6-4-8(5-7-17)12(16)18/h1-3,8H,4-7,15H2,(H2,16,18)
InChIKeyOTHKEHGCUUFSKR-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.26
Rot. Bonds2

About 1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide

1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide (PubChem CID 63660702) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide
PubChem CID63660702
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2c(N)cccc2Cl)CC1
InChIInChI=1S/C13H16ClN3O2/c14-9-2-1-3-10(15)11(9)13(19)17-6-4-8(5-7-17)12(16)18/h1-3,8H,4-7,15H2,(H2,16,18)
InChIKeyOTHKEHGCUUFSKR-UHFFFAOYSA-N
XLogP1.26
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.26
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

(2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504969
(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 63658810
1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide
CID 81393685
(2-amino-6-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 63660206
1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide
CID 63659184
(2-amino-6-chlorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63658829
4-(2-amino-6-chlorobenzoyl)piperazine-2,6-dione
CID 66083078
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 58211023
(2-amino-6-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63658830
(2-amino-6-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 63658805

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide (CID 63660702) is 1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2c(N)cccc2Cl)CC1.
What is the InChIKey of 1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is OTHKEHGCUUFSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-9-2-1-3-10(15)11(9)13(19)17-6-4-8(5-7-17)12(16)18/h1-3,8H,4-7,15H2,(H2,16,18).
What are the key properties of 1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide?
1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 63660702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).