3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide

C15H20ClN3O2 — CID 119283029

IUPAC3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESNCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C15H20ClN3O2/c16-11-4-5-12(13(10-11)18-14(20)6-7-17)15(21)19-8-2-1-3-9-19/h4-5,10H,1-3,6-9,17H2,(H,18,20)
InChIKeyWEOLXBSZOQXEFL-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.25
Rot. Bonds4

About 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide

3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide (PubChem CID 119283029) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
PubChem CID119283029
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESNCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C15H20ClN3O2/c16-11-4-5-12(13(10-11)18-14(20)6-7-17)15(21)19-8-2-1-3-9-19/h4-5,10H,1-3,6-9,17H2,(H,18,20)
InChIKeyWEOLXBSZOQXEFL-UHFFFAOYSA-N
XLogP2.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828
2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112760310
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 55777037
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55873986
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 8868793
2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119711879
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 51147954
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112832788
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide (CID 119283029) is 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide is NCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1.
What is the InChIKey of 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is WEOLXBSZOQXEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-11-4-5-12(13(10-11)18-14(20)6-7-17)15(21)19-8-2-1-3-9-19/h4-5,10H,1-3,6-9,17H2,(H,18,20).
What are the key properties of 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide?
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 309.80 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 119283029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).