1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one

C15H27NO — CID 116611207

IUPAC1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one
SMILESCC(C)(C(=O)CC1CCCC1)C1CCCNC1
InChIInChI=1S/C15H27NO/c1-15(2,13-8-5-9-16-11-13)14(17)10-12-6-3-4-7-12/h12-13,16H,3-11H2,1-2H3
InChIKeySGWFVBPSJFVBQW-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds4

About 1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one

1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one (PubChem CID 116611207) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one
PubChem CID116611207
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one
SMILESCC(C)(C(=O)CC1CCCC1)C1CCCNC1
InChIInChI=1S/C15H27NO/c1-15(2,13-8-5-9-16-11-13)14(17)10-12-6-3-4-7-12/h12-13,16H,3-11H2,1-2H3
InChIKeySGWFVBPSJFVBQW-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one
CID 116611253
2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one
CID 114478078
5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one
CID 116611228
4-methyl-1-methylsulfonyl-4-piperidin-3-ylpentan-3-one
CID 116611269
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611187
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
N-cyclohexyl-2-methyl-2-piperidin-3-ylpropanamide
CID 83032368
2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83199032
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199754
2-methyl-N-(2-methylbutan-2-yl)-2-piperidin-3-ylpropanamide
CID 83199732
2-methyl-2-piperidin-3-yl-N-(4-propylcyclohexyl)propanamide
CID 83034570
N',N',2-trimethyl-2-piperidin-3-ylpropanehydrazide
CID 83199911

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one?
The IUPAC name of 1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one (CID 116611207) is 1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one?
The canonical SMILES for 1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one is CC(C)(C(=O)CC1CCCC1)C1CCCNC1.
What is the InChIKey of 1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one?
The InChIKey is SGWFVBPSJFVBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-15(2,13-8-5-9-16-11-13)14(17)10-12-6-3-4-7-12/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one?
1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one is sourced from PubChem (CID 116611207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).