2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

C16H24ClN3O — CID 61111407

IUPAC2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(CCCNC(=O)c2ccc(Cl)cc2N)CC1
InChIInChI=1S/C16H24ClN3O/c1-12-5-9-20(10-6-12)8-2-7-19-16(21)14-4-3-13(17)11-15(14)18/h3-4,11-12H,2,5-10,18H2,1H3,(H,19,21)
InChIKeyVWSSVPHQYCCMOZ-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.77
Rot. Bonds5

About 2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 61111407) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID61111407
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(CCCNC(=O)c2ccc(Cl)cc2N)CC1
InChIInChI=1S/C16H24ClN3O/c1-12-5-9-20(10-6-12)8-2-7-19-16(21)14-4-3-13(17)11-15(14)18/h3-4,11-12H,2,5-10,18H2,1H3,(H,19,21)
InChIKeyVWSSVPHQYCCMOZ-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 78904784
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 110007287
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
2-chloro-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111386582
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61138918

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 61111407) is 2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is CC1CCN(CCCNC(=O)c2ccc(Cl)cc2N)CC1.
What is the InChIKey of 2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is VWSSVPHQYCCMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12-5-9-20(10-6-12)8-2-7-19-16(21)14-4-3-13(17)11-15(14)18/h3-4,11-12H,2,5-10,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 309.84 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 61111407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).