(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone

C16H29NO — CID 70597655

IUPAC(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone
SMILESCC1CCC(C(C)C)C(C(=O)N2CCCCC2)C1
InChIInChI=1S/C16H29NO/c1-12(2)14-8-7-13(3)11-15(14)16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3
InChIKeyUOMBIAHQSVFAIR-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.71
Rot. Bonds2

About (5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone

(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone (PubChem CID 70597655) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone
PubChem CID70597655
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone
SMILESCC1CCC(C(C)C)C(C(=O)N2CCCCC2)C1
InChIInChI=1S/C16H29NO/c1-12(2)14-8-7-13(3)11-15(14)16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3
InChIKeyUOMBIAHQSVFAIR-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
CID 87694717
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
CID 140851992
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
2,4-bis(5-methyl-2-propan-2-ylcyclohexyl)penta-2,3-dienedioic acid
CID 22468078
4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane
CID 54004505
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone (CID 70597655) is (5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone is CC1CCC(C(C)C)C(C(=O)N2CCCCC2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone?
The InChIKey is UOMBIAHQSVFAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12(2)14-8-7-13(3)11-15(14)16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone?
(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone has a molecular weight of 251.41 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 70597655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).