[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone

C18H26N2O — CID 125134096

IUPAC[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
SMILESC[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C18H26N2O/c1-14-16(12-15-6-3-2-4-7-15)9-11-20(14)18(21)17-8-5-10-19-13-17/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3/t14-,16+,17+/m1/s1
InChIKeyHZGIXXKDOMJDCU-PVAVHDDUSA-N
MW286.42 g/mol
LogP2.47
Rot. Bonds3

About [(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone

[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone (PubChem CID 125134096) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
PubChem CID125134096
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
SMILESC[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C18H26N2O/c1-14-16(12-15-6-3-2-4-7-15)9-11-20(14)18(21)17-8-5-10-19-13-17/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3/t14-,16+,17+/m1/s1
InChIKeyHZGIXXKDOMJDCU-PVAVHDDUSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 119337130
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119806905
3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine
CID 119932171
benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone
CID 142544964
(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119806940
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308533
(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81139161
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119312368
2-amino-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991565

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of [(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone (CID 125134096) is [(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for [(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for [(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone is C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@H]1CCCNC1.
What is the InChIKey of [(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone?
The InChIKey is HZGIXXKDOMJDCU-PVAVHDDUSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-16(12-15-6-3-2-4-7-15)9-11-20(14)18(21)17-8-5-10-19-13-17/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3/t14-,16+,17+/m1/s1.
What are the key properties of [(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone?
[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 125134096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).