1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide

C14H18ClN3O2 — CID 63659184

IUPAC1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-8-5-6-9(13(17)19)7-18(8)14(20)12-10(15)3-2-4-11(12)16/h2-4,8-9H,5-7,16H2,1H3,(H2,17,19)
InChIKeyHKLGJJBGUIIQQU-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.65
Rot. Bonds2

About 1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide

1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 63659184) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide
PubChem CID63659184
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-8-5-6-9(13(17)19)7-18(8)14(20)12-10(15)3-2-4-11(12)16/h2-4,8-9H,5-7,16H2,1H3,(H2,17,19)
InChIKeyHKLGJJBGUIIQQU-UHFFFAOYSA-N
XLogP1.65
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.65
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

1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide
CID 63660702
1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 60962792
(2-amino-6-chlorophenyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 63659175
1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 60948058
(3S,6R)-1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 94636248
1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 47415559
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089
(3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide
CID 95584926
(3R,6R)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95146623
(3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95146622
(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95585226

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide (CID 63659184) is 1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)c1c(N)cccc1Cl.
What is the InChIKey of 1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is HKLGJJBGUIIQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-8-5-6-9(13(17)19)7-18(8)14(20)12-10(15)3-2-4-11(12)16/h2-4,8-9H,5-7,16H2,1H3,(H2,17,19).
What are the key properties of 1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide?
1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.65, 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)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63659184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).