[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone

C14H20N2O — CID 94475796

IUPAC[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCN[C@H]1CCCN(C(=O)c2cccc(C)c2)C1
InChIInChI=1S/C14H20N2O/c1-11-5-3-6-12(9-11)14(17)16-8-4-7-13(10-16)15-2/h3,5-6,9,13,15H,4,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyFWDWZBZMROSCBJ-ZDUSSCGKSA-N
MW232.33 g/mol
LogP1.82
Rot. Bonds2

About [(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone

[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 94475796) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID94475796
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCN[C@H]1CCCN(C(=O)c2cccc(C)c2)C1
InChIInChI=1S/C14H20N2O/c1-11-5-3-6-12(9-11)14(17)16-8-4-7-13(10-16)15-2/h3,5-6,9,13,15H,4,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyFWDWZBZMROSCBJ-ZDUSSCGKSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
CID 119493833
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575046
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119488373
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone (CID 94475796) is [(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone is CN[C@H]1CCCN(C(=O)c2cccc(C)c2)C1.
What is the InChIKey of [(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is FWDWZBZMROSCBJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-3-6-12(9-11)14(17)16-8-4-7-13(10-16)15-2/h3,5-6,9,13,15H,4,7-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone?
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 94475796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).