(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone

C15H21ClN2O — CID 90380560

IUPAC(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
SMILESCC(C)NC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)17-12-7-9-18(10-8-12)15(19)13-5-3-4-6-14(13)16/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyAPGPAYCIIMAALP-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.94
Rot. Bonds3

About (2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone

(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone (PubChem CID 90380560) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
PubChem CID90380560
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
SMILESCC(C)NC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)17-12-7-9-18(10-8-12)15(19)13-5-3-4-6-14(13)16/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyAPGPAYCIIMAALP-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552516
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
(2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone
CID 128995391
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
(2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone
CID 154755932

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone (CID 90380560) is (2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone is CC(C)NC1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
The InChIKey is APGPAYCIIMAALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(2)17-12-7-9-18(10-8-12)15(19)13-5-3-4-6-14(13)16/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 280.80 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 90380560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).