(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one

C10H17NO — CID 163890114

IUPAC(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
SMILESC[C@@H]1CCCN(CC2CC2)C1=O
InChIInChI=1S/C10H17NO/c1-8-3-2-6-11(10(8)12)7-9-4-5-9/h8-9H,2-7H2,1H3/t8-/m1/s1
InChIKeyQAVDLINNVMNDMB-MRVPVSSYSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds2

About (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one

(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one (PubChem CID 163890114) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
PubChem CID163890114
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
SMILESC[C@@H]1CCCN(CC2CC2)C1=O
InChIInChI=1S/C10H17NO/c1-8-3-2-6-11(10(8)12)7-9-4-5-9/h8-9H,2-7H2,1H3/t8-/m1/s1
InChIKeyQAVDLINNVMNDMB-MRVPVSSYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one (CID 163890114) is (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one is C[C@@H]1CCCN(CC2CC2)C1=O.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one?
The InChIKey is QAVDLINNVMNDMB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-3-2-6-11(10(8)12)7-9-4-5-9/h8-9H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one?
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one is sourced from PubChem (CID 163890114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).