(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone

C17H24N2O — CID 63121925

IUPAC(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCC1(C(=O)N2CCCC2c2ccccc2)CCNCC1
InChIInChI=1S/C17H24N2O/c1-17(9-11-18-12-10-17)16(20)19-13-5-8-15(19)14-6-3-2-4-7-14/h2-4,6-7,15,18H,5,8-13H2,1H3
InChIKeyJHIUIIVJSKBGSZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.74
Rot. Bonds2

About (4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone

(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 63121925) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID63121925
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCC1(C(=O)N2CCCC2c2ccccc2)CCNCC1
InChIInChI=1S/C17H24N2O/c1-17(9-11-18-12-10-17)16(20)19-13-5-8-15(19)14-6-3-2-4-7-14/h2-4,6-7,15,18H,5,8-13H2,1H3
InChIKeyJHIUIIVJSKBGSZ-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone (CID 63121925) is (4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone is CC1(C(=O)N2CCCC2c2ccccc2)CCNCC1.
What is the InChIKey of (4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is JHIUIIVJSKBGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(9-11-18-12-10-17)16(20)19-13-5-8-15(19)14-6-3-2-4-7-14/h2-4,6-7,15,18H,5,8-13H2,1H3.
What are the key properties of (4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone?
(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63121925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).