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

C15H21Cl2N3O2 — CID 119283028

IUPAC3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C15H20ClN3O2.ClH/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);1H
InChIKeyCIXXLGBVBFRPIR-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.68
Rot. Bonds4

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

3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride (PubChem CID 119283028) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
PubChem CID119283028
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C15H20ClN3O2.ClH/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);1H
InChIKeyCIXXLGBVBFRPIR-UHFFFAOYSA-N
XLogP2.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.68
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
CID 119283029
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2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
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N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
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N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
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3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
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CID 119711879
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895
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2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 8868793
2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride (CID 119283028) is 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride is Cl.NCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1.
What is the InChIKey of 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The InChIKey is CIXXLGBVBFRPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/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);1H.
What are the key properties of 3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.68, 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;hydrochloride is sourced from PubChem (CID 119283028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).