(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone

C15H19ClN2O — CID 119374366

IUPAC(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
SMILESNC1CCN(C(=O)C2CC2c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H19ClN2O/c16-11-3-1-2-10(8-11)13-9-14(13)15(19)18-6-4-12(17)5-7-18/h1-3,8,12-14H,4-7,9,17H2
InChIKeyQLLXXWNGSUBDSD-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.39
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone

(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone (PubChem CID 119374366) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
PubChem CID119374366
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
SMILESNC1CCN(C(=O)C2CC2c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H19ClN2O/c16-11-3-1-2-10(8-11)13-9-14(13)15(19)18-6-4-12(17)5-7-18/h1-3,8,12-14H,4-7,9,17H2
InChIKeyQLLXXWNGSUBDSD-UHFFFAOYSA-N
XLogP2.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 100644316
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98767571
[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 52910524
[2-(3-chlorophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 119415861
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412312
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489930
[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779940
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 125146800
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
[2-(3-chlorophenyl)cyclopropyl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866034

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone (CID 119374366) is (4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone is NC1CCN(C(=O)C2CC2c2cccc(Cl)c2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone?
The InChIKey is QLLXXWNGSUBDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-11-3-1-2-10(8-11)13-9-14(13)15(19)18-6-4-12(17)5-7-18/h1-3,8,12-14H,4-7,9,17H2.
What are the key properties of (4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone?
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone has a molecular weight of 278.78 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 119374366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).