1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide

C14H17Cl2N3O2 — CID 43018274

IUPAC1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-8(20)19-4-2-9(3-5-19)14(21)18-10-6-11(15)13(17)12(16)7-10/h6-7,9H,2-5,17H2,1H3,(H,18,21)
InChIKeyDHHPXMGXPVWGFL-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.77
Rot. Bonds2

About 1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide

1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide (PubChem CID 43018274) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide
PubChem CID43018274
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-8(20)19-4-2-9(3-5-19)14(21)18-10-6-11(15)13(17)12(16)7-10/h6-7,9H,2-5,17H2,1H3,(H,18,21)
InChIKeyDHHPXMGXPVWGFL-UHFFFAOYSA-N
XLogP2.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.77
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

methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
CID 34160565
1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide
CID 110671730
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16577110
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
1-acetyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 9460845
N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 86845064
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108804438
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide (CID 43018274) is 1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1.
What is the InChIKey of 1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide?
The InChIKey is DHHPXMGXPVWGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-8(20)19-4-2-9(3-5-19)14(21)18-10-6-11(15)13(17)12(16)7-10/h6-7,9H,2-5,17H2,1H3,(H,18,21).
What are the key properties of 1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide?
1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 43018274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).