1,4-di(propan-2-yl)piperidin-2-one

C11H21NO — CID 59815013

IUPAC1,4-di(propan-2-yl)piperidin-2-one
SMILESCC(C)C1CCN(C(C)C)C(=O)C1
InChIInChI=1S/C11H21NO/c1-8(2)10-5-6-12(9(3)4)11(13)7-10/h8-10H,5-7H2,1-4H3
InChIKeyBNWWRHIBURTCRV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds2

About 1,4-di(propan-2-yl)piperidin-2-one

1,4-di(propan-2-yl)piperidin-2-one (PubChem CID 59815013) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name1,4-di(propan-2-yl)piperidin-2-one
PubChem CID59815013
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1,4-di(propan-2-yl)piperidin-2-one
SMILESCC(C)C1CCN(C(C)C)C(=O)C1
InChIInChI=1S/C11H21NO/c1-8(2)10-5-6-12(9(3)4)11(13)7-10/h8-10H,5-7H2,1-4H3
InChIKeyBNWWRHIBURTCRV-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-methyl-1-propan-2-ylpiperidin-2-one
CID 146189897
4-(dimethylamino)-1-propan-2-ylpiperidin-2-one
CID 149452185
1-cyclopropyl-4-propan-2-ylpiperidin-2-one
CID 154930951
(4aS,9aR)-7-propan-2-yl-2,3,4,4a,5,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one
CID 26742764
(4S)-1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 129101287
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde
CID 97182050
2-methylidene-1,4-di(propan-2-yl)pyrrolidine
CID 130396071
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
1,3-di(propan-2-yl)azetidin-2-one
CID 166023384
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
1,4-di(propan-2-yl)piperidine
CID 21303253

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)piperidin-2-one?
The IUPAC name of 1,4-di(propan-2-yl)piperidin-2-one (CID 59815013) is 1,4-di(propan-2-yl)piperidin-2-one.
What is the SMILES notation for 1,4-di(propan-2-yl)piperidin-2-one?
The canonical SMILES for 1,4-di(propan-2-yl)piperidin-2-one is CC(C)C1CCN(C(C)C)C(=O)C1.
What is the InChIKey of 1,4-di(propan-2-yl)piperidin-2-one?
The InChIKey is BNWWRHIBURTCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10-5-6-12(9(3)4)11(13)7-10/h8-10H,5-7H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)piperidin-2-one?
1,4-di(propan-2-yl)piperidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)piperidin-2-one is sourced from PubChem (CID 59815013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).