[4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone

C23H31N3O — CID 95126555

IUPAC[4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone
SMILESCc1ccccc1[C@@H](CNC1CCN(C(=O)c2ccccc2)CC1)N(C)C
InChIInChI=1S/C23H31N3O/c1-18-9-7-8-12-21(18)22(25(2)3)17-24-20-13-15-26(16-14-20)23(27)19-10-5-4-6-11-19/h4-12,20,22,24H,13-17H2,1-3H3/t22-/m1/s1
InChIKeyLEDDGJRMCZOQMY-JOCHJYFZSA-N
MW365.52 g/mol
LogP3.49
Rot. Bonds6

About [4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone

[4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone (PubChem CID 95126555) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is [4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone
PubChem CID95126555
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name[4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone
SMILESCc1ccccc1[C@@H](CNC1CCN(C(=O)c2ccccc2)CC1)N(C)C
InChIInChI=1S/C23H31N3O/c1-18-9-7-8-12-21(18)22(25(2)3)17-24-20-13-15-26(16-14-20)23(27)19-10-5-4-6-11-19/h4-12,20,22,24H,13-17H2,1-3H3/t22-/m1/s1
InChIKeyLEDDGJRMCZOQMY-JOCHJYFZSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(2-methylphenyl)-N'-(thian-4-yl)ethane-1,2-diamine
CID 50981193
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
[4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone
CID 50951057
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870
N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
CID 83206943
1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
CID 15428765
4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide
CID 125448609
furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
CID 97231970
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
2-(1-benzoylpiperidin-4-yl)propanamide
CID 70046438
(2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 97278730
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone (CID 95126555) is [4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone is Cc1ccccc1[C@@H](CNC1CCN(C(=O)c2ccccc2)CC1)N(C)C.
What is the InChIKey of [4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is LEDDGJRMCZOQMY-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18-9-7-8-12-21(18)22(25(2)3)17-24-20-13-15-26(16-14-20)23(27)19-10-5-4-6-11-19/h4-12,20,22,24H,13-17H2,1-3H3/t22-/m1/s1.
What are the key properties of [4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone?
[4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 365.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95126555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).