3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one

C15H21ClN2O — CID 109032840

IUPAC3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCNc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-12-5-4-10-18(11-12)15(19)8-9-17-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3
InChIKeyLWEMWEBJVIVWDA-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.40
Rot. Bonds4

About 3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one

3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 109032840) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID109032840
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCNc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-12-5-4-10-18(11-12)15(19)8-9-17-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3
InChIKeyLWEMWEBJVIVWDA-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032853
N-(2-chlorophenyl)-2-[4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799834
N-(2-chlorophenyl)-2-[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799844
1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
CID 109032918
1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride
CID 119489264
2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108997960
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032867
N-(2,6-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952397
2-(2-iodoanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 55434759
3-[2-(4-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109028026
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 109032840) is 3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(C(=O)CCNc2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is LWEMWEBJVIVWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-12-5-4-10-18(11-12)15(19)8-9-17-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3.
What are the key properties of 3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 280.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109032840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).