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

C18H26N2O — CID 120619708

IUPAC(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCCC2Cc2ccccc2)CCN1
InChIInChI=1S/C18H26N2O/c1-14-12-16(9-10-19-14)18(21)20-11-5-8-17(20)13-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3/t14-,16-,17?/m0/s1
InChIKeyVJNHQDPDXIEICY-CCWDIYBNSA-N
MW286.42 g/mol
LogP2.61
Rot. Bonds3

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

(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120619708) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120619708
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCCC2Cc2ccccc2)CCN1
InChIInChI=1S/C18H26N2O/c1-14-12-16(9-10-19-14)18(21)20-11-5-8-17(20)13-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3/t14-,16-,17?/m0/s1
InChIKeyVJNHQDPDXIEICY-CCWDIYBNSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of (2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120619708) is (2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for (2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for (2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is C[C@H]1C[C@@H](C(=O)N2CCCC2Cc2ccccc2)CCN1.
What is the InChIKey of (2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is VJNHQDPDXIEICY-CCWDIYBNSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-12-16(9-10-19-14)18(21)20-11-5-8-17(20)13-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3/t14-,16-,17?/m0/s1.
What are the key properties of (2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120619708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).