4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide

C15H22ClN3O — CID 119882578

IUPAC4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
SMILESNCCCC(=O)NC1CCCN(c2ccccc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c16-13-6-1-2-7-14(13)19-10-4-5-12(11-19)18-15(20)8-3-9-17/h1-2,6-7,12H,3-5,8-11,17H2,(H,18,20)
InChIKeyBMRGLFSJSMCNHC-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.16
Rot. Bonds5

About 4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide

4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide (PubChem CID 119882578) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
PubChem CID119882578
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
SMILESNCCCC(=O)NC1CCCN(c2ccccc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c16-13-6-1-2-7-14(13)19-10-4-5-12(11-19)18-15(20)8-3-9-17/h1-2,6-7,12H,3-5,8-11,17H2,(H,18,20)
InChIKeyBMRGLFSJSMCNHC-UHFFFAOYSA-N
XLogP2.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119882542
2-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]-2-phenylacetamide
CID 119882522
N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
CID 136522287
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111507151
N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 126813830
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide
CID 99715413
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111507150
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide?
The IUPAC name of 4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide (CID 119882578) is 4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide?
The canonical SMILES for 4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide is NCCCC(=O)NC1CCCN(c2ccccc2Cl)C1.
What is the InChIKey of 4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide?
The InChIKey is BMRGLFSJSMCNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c16-13-6-1-2-7-14(13)19-10-4-5-12(11-19)18-15(20)8-3-9-17/h1-2,6-7,12H,3-5,8-11,17H2,(H,18,20).
What are the key properties of 4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide?
4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide has a molecular weight of 295.81 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 119882578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).