2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one

C15H22N2O — CID 82044614

IUPAC2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)Nc2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)13(2)16-14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3
InChIKeyBCFSNMSTEYNREM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.75
Rot. Bonds3

About 2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one

2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 82044614) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID82044614
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)Nc2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)13(2)16-14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3
InChIKeyBCFSNMSTEYNREM-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268710
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 134033637
2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 87033324
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
CID 18623712
(2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 166782041
(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25351776
(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 34336590
(2R)-2-benzylsulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 92662149
2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 55572273
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
(2S)-1-(4-benzylpiperazin-1-yl)-2-(4-chloroanilino)propan-1-one
CID 7928563

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one (CID 82044614) is 2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)Nc2ccccc2)CC1.
What is the InChIKey of 2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is BCFSNMSTEYNREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)13(2)16-14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3.
What are the key properties of 2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one?
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82044614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).