2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone

C16H21ClN2O — CID 76725285

IUPAC2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
SMILESNC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CC1
InChIInChI=1S/C16H21ClN2O/c17-14-5-3-11(4-6-14)12-7-9-19(10-8-12)16(20)15(18)13-1-2-13/h3-6,12-13,15H,1-2,7-10,18H2
InChIKeyVPOZHUUSCVGBIV-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone

2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone (PubChem CID 76725285) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
PubChem CID76725285
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
SMILESNC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CC1
InChIInChI=1S/C16H21ClN2O/c17-14-5-3-11(4-6-14)12-7-9-19(10-8-12)16(20)15(18)13-1-2-13/h3-6,12-13,15H,1-2,7-10,18H2
InChIKeyVPOZHUUSCVGBIV-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 67299766
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide
CID 24758630
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
2-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798570
2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120801130
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24759076
2-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481433
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24759417
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 119322388

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone?
The IUPAC name of 2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone (CID 76725285) is 2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone.
What is the SMILES notation for 2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone?
The canonical SMILES for 2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone is NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CC1.
What is the InChIKey of 2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone?
The InChIKey is VPOZHUUSCVGBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-14-5-3-11(4-6-14)12-7-9-19(10-8-12)16(20)15(18)13-1-2-13/h3-6,12-13,15H,1-2,7-10,18H2.
What are the key properties of 2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone?
2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone has a molecular weight of 292.81 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone is sourced from PubChem (CID 76725285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).