N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide

C14H20ClN3O — CID 16786642

IUPACN-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(N)cc1Cl)N1CCCCC1
InChIInChI=1S/C14H20ClN3O/c1-10(18-7-3-2-4-8-18)14(19)17-13-6-5-11(16)9-12(13)15/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,17,19)
InChIKeyRMUQQYXORRPCLF-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.74
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide

N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide (PubChem CID 16786642) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
PubChem CID16786642
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(N)cc1Cl)N1CCCCC1
InChIInChI=1S/C14H20ClN3O/c1-10(18-7-3-2-4-8-18)14(19)17-13-6-5-11(16)9-12(13)15/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,17,19)
InChIKeyRMUQQYXORRPCLF-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.74
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

N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592
N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 43080000
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224757

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide (CID 16786642) is N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide is CC(C(=O)Nc1ccc(N)cc1Cl)N1CCCCC1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide?
The InChIKey is RMUQQYXORRPCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10(18-7-3-2-4-8-18)14(19)17-13-6-5-11(16)9-12(13)15/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide?
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide has a molecular weight of 281.79 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 16786642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).