2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

C17H28N2O2 — CID 79539720

IUPAC2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCC1CCCN(C(=O)N2CCCC2C2CCCCC2=O)C1
InChIInChI=1S/C17H28N2O2/c1-13-6-4-10-18(12-13)17(21)19-11-5-8-15(19)14-7-2-3-9-16(14)20/h13-15H,2-12H2,1H3
InChIKeyVXRMYORWXPVXRW-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.06
Rot. Bonds1

About 2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79539720) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79539720
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCC1CCCN(C(=O)N2CCCC2C2CCCCC2=O)C1
InChIInChI=1S/C17H28N2O2/c1-13-6-4-10-18(12-13)17(21)19-11-5-8-15(19)14-7-2-3-9-16(14)20/h13-15H,2-12H2,1H3
InChIKeyVXRMYORWXPVXRW-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 79539720) is 2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is CC1CCCN(C(=O)N2CCCC2C2CCCCC2=O)C1.
What is the InChIKey of 2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is VXRMYORWXPVXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-6-4-10-18(12-13)17(21)19-11-5-8-15(19)14-7-2-3-9-16(14)20/h13-15H,2-12H2,1H3.
What are the key properties of 2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 292.42 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79539720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).