1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide

C20H21ClFN3O2 — CID 120633299

IUPAC1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
SMILESCc1ccc(N)cc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C20H21ClFN3O2/c1-12-2-3-14(23)10-16(12)20(27)25-8-6-13(7-9-25)19(26)24-15-4-5-18(22)17(21)11-15/h2-5,10-11,13H,6-9,23H2,1H3,(H,24,26)
InChIKeyAYKSREWVXOAPCX-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.86
Rot. Bonds3

About 1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide

1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 120633299) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is 1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
PubChem CID120633299
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
SMILESCc1ccc(N)cc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C20H21ClFN3O2/c1-12-2-3-14(23)10-16(12)20(27)25-8-6-13(7-9-25)19(26)24-15-4-5-18(22)17(21)11-15/h2-5,10-11,13H,6-9,23H2,1H3,(H,24,26)
InChIKeyAYKSREWVXOAPCX-UHFFFAOYSA-N
XLogP3.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.86
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-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
1-[2-(4-aminophenyl)acetyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 119787390
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643636
1-(3-amino-2-methylbutanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120500954
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide
CID 159674801
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide (CID 120633299) is 1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide is Cc1ccc(N)cc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is AYKSREWVXOAPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c1-12-2-3-14(23)10-16(12)20(27)25-8-6-13(7-9-25)19(26)24-15-4-5-18(22)17(21)11-15/h2-5,10-11,13H,6-9,23H2,1H3,(H,24,26).
What are the key properties of 1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide?
1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 120633299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).