3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide

C14H20ClN3O — CID 43556671

IUPAC3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
SMILESNC1CCN(CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c15-12-3-1-2-4-13(12)17-14(19)7-10-18-8-5-11(16)6-9-18/h1-4,11H,5-10,16H2,(H,17,19)
InChIKeyLSTLFPFLTPPKCQ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.09
Rot. Bonds4

About 3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide

3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide (PubChem CID 43556671) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
PubChem CID43556671
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
SMILESNC1CCN(CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c15-12-3-1-2-4-13(12)17-14(19)7-10-18-8-5-11(16)6-9-18/h1-4,11H,5-10,16H2,(H,17,19)
InChIKeyLSTLFPFLTPPKCQ-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
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3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
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N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
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N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
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2-[(3R)-3-aminopiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 102977528
N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 740080
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide (CID 43556671) is 3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide is NC1CCN(CCC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide?
The InChIKey is LSTLFPFLTPPKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-3-1-2-4-13(12)17-14(19)7-10-18-8-5-11(16)6-9-18/h1-4,11H,5-10,16H2,(H,17,19).
What are the key properties of 3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide?
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide has a molecular weight of 281.79 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 43556671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).