1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one

C18H33NO — CID 19099559

IUPAC1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one
SMILESCC1CCNC(C)C1(C)CCC(=O)CCC1CCCC1
InChIInChI=1S/C18H33NO/c1-14-11-13-19-15(2)18(14,3)12-10-17(20)9-8-16-6-4-5-7-16/h14-16,19H,4-13H2,1-3H3
InChIKeyBBKHNKKXGGZJPC-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.33
Rot. Bonds6

About 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one

1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one (PubChem CID 19099559) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one.

Molecular Properties

Compound Name1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one
PubChem CID19099559
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one
SMILESCC1CCNC(C)C1(C)CCC(=O)CCC1CCCC1
InChIInChI=1S/C18H33NO/c1-14-11-13-19-15(2)18(14,3)12-10-17(20)9-8-16-6-4-5-7-16/h14-16,19H,4-13H2,1-3H3
InChIKeyBBKHNKKXGGZJPC-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(Difluoromethyl)-4-methylpiperidin-3-yl]-2,2-dimethylpropan-1-one
CID 176832483
1-[2,4-Dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
CID 176832645
1-[4,5-Dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
CID 176833568
2,2-Dimethyl-1-[4-methyl-6-(trifluoromethyl)piperidin-3-yl]propan-1-one
CID 176834254
1-Cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one
CID 19099558
1-Cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one
CID 19099560
1-Cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride
CID 19099566
1-Cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride
CID 19099567
1-cyclopentyl-5-(1-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-isoquinolin-8a-yl)pentan-3-one
CID 19099577
2-(Tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one
CID 20825307
2-(Tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one
CID 20825452
1-(4-Cyclohexylpiperidin-4-yl)propan-2-one
CID 21018604

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one?
The IUPAC name of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one (CID 19099559) is 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one.
What is the SMILES notation for 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one?
The canonical SMILES for 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one is CC1CCNC(C)C1(C)CCC(=O)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one?
The InChIKey is BBKHNKKXGGZJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-14-11-13-19-15(2)18(14,3)12-10-17(20)9-8-16-6-4-5-7-16/h14-16,19H,4-13H2,1-3H3.
What are the key properties of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one?
1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one has a molecular weight of 279.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one is sourced from PubChem (CID 19099559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).