[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone

C16H21ClN2O — CID 119489930

IUPAC[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)C2CC2c2cccc(Cl)c2)C1
InChIInChI=1S/C16H21ClN2O/c1-18-13-6-3-7-19(10-13)16(20)15-9-14(15)11-4-2-5-12(17)8-11/h2,4-5,8,13-15,18H,3,6-7,9-10H2,1H3
InChIKeyVLWFEALUTRTSCZ-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.65
Rot. Bonds3

About [2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone

[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119489930) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is [2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119489930
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)C2CC2c2cccc(Cl)c2)C1
InChIInChI=1S/C16H21ClN2O/c1-18-13-6-3-7-19(10-13)16(20)15-9-14(15)11-4-2-5-12(17)8-11/h2,4-5,8,13-15,18H,3,6-7,9-10H2,1H3
InChIKeyVLWFEALUTRTSCZ-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 125146800
[2-(3,4-difluorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492182
1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 49161889
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
[(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
[2-(3,5-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395248
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98767571
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
(2S)-4-[(1R,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125152163
(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125152161
(4aR,7aS)-1-[(1R,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]-6-methyl-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridin-5-one
CID 136582569

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119489930) is [2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)C2CC2c2cccc(Cl)c2)C1.
What is the InChIKey of [2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is VLWFEALUTRTSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-18-13-6-3-7-19(10-13)16(20)15-9-14(15)11-4-2-5-12(17)8-11/h2,4-5,8,13-15,18H,3,6-7,9-10H2,1H3.
What are the key properties of [2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone?
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 292.81 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119489930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).