cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone

C12H21NO — CID 40599343

IUPACcyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C12H21NO/c1-10-5-4-8-13(9-10)12(14)11-6-2-3-7-11/h10-11H,2-9H2,1H3/t10-/m1/s1
InChIKeyZFDNTBCBDZFPEK-SNVBAGLBSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds1

About cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone

cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 40599343) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID40599343
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C12H21NO/c1-10-5-4-8-13(9-10)12(14)11-6-2-3-7-11/h10-11H,2-9H2,1H3/t10-/m1/s1
InChIKeyZFDNTBCBDZFPEK-SNVBAGLBSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone (CID 40599343) is cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone is C[C@@H]1CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is ZFDNTBCBDZFPEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-5-4-8-13(9-10)12(14)11-6-2-3-7-11/h10-11H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone?
cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 195.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 40599343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).