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

C16H28N2O — CID 63122988

IUPAC(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)N2CCCC2C2CCCC2)CCNCC1
InChIInChI=1S/C16H28N2O/c1-16(8-10-17-11-9-16)15(19)18-12-4-7-14(18)13-5-2-3-6-13/h13-14,17H,2-12H2,1H3
InChIKeyDKUNQGSINVRQLG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.56
Rot. Bonds2

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

(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone (PubChem CID 63122988) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone
PubChem CID63122988
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)N2CCCC2C2CCCC2)CCNCC1
InChIInChI=1S/C16H28N2O/c1-16(8-10-17-11-9-16)15(19)18-12-4-7-14(18)13-5-2-3-6-13/h13-14,17H,2-12H2,1H3
InChIKeyDKUNQGSINVRQLG-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone (CID 63122988) is (2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for (2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone is CC1(C(=O)N2CCCC2C2CCCC2)CCNCC1.
What is the InChIKey of (2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone?
The InChIKey is DKUNQGSINVRQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(8-10-17-11-9-16)15(19)18-12-4-7-14(18)13-5-2-3-6-13/h13-14,17H,2-12H2,1H3.
What are the key properties of (2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone?
(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone has a molecular weight of 264.41 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 63122988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).