(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone

C18H26N2O — CID 120633950

IUPAC(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCC1CC(c2ccccc2)CN1C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C18H26N2O/c1-13-10-16(8-9-19-13)18(21)20-12-17(11-14(20)2)15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3/t13-,14?,16-,17?/m0/s1
InChIKeyHUAFXEJOBCVLPK-SMOLVSOFSA-N
MW286.42 g/mol
LogP2.78
Rot. Bonds2

About (2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone

(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120633950) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120633950
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCC1CC(c2ccccc2)CN1C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C18H26N2O/c1-13-10-16(8-9-19-13)18(21)20-12-17(11-14(20)2)15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3/t13-,14?,16-,17?/m0/s1
InChIKeyHUAFXEJOBCVLPK-SMOLVSOFSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120674509
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 120623924
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119790957
[2-(4-fluorophenyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120637114
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119330969
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 125118087
[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 125135055
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride
CID 120641199

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of (2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120633950) is (2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for (2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for (2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is CC1CC(c2ccccc2)CN1C(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is HUAFXEJOBCVLPK-SMOLVSOFSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-10-16(8-9-19-13)18(21)20-12-17(11-14(20)2)15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3/t13-,14?,16-,17?/m0/s1.
What are the key properties of (2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120633950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).