N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide

C17H30N2O2 — CID 79541365

IUPACN,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide
SMILESCN(C)C(=O)CCCN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C17H30N2O2/c1-18(2)17(21)11-7-13-19-12-6-5-9-15(19)14-8-3-4-10-16(14)20/h14-15H,3-13H2,1-2H3
InChIKeyVLQSSDYFEZYRHP-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.47
Rot. Bonds5

About N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide

N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide (PubChem CID 79541365) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide
PubChem CID79541365
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide
SMILESCN(C)C(=O)CCCN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C17H30N2O2/c1-18(2)17(21)11-7-13-19-12-6-5-9-15(19)14-8-3-4-10-16(14)20/h14-15H,3-13H2,1-2H3
InChIKeyVLQSSDYFEZYRHP-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-octylpiperidin-2-yl)cyclohexan-1-one
CID 79539887
methyl 4-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]butanoate
CID 79548843
2-(1-hexylpiperidin-2-yl)cyclopentan-1-one
CID 79545160
N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide
CID 79553575
2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one
CID 83156297
2-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114472642
2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103409847
2-[1-(2-methoxyethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553024
2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide
CID 79552802
2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one
CID 115513982
2-[1-(cyclobutylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553179
N-cyclopropyl-3-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79544799

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide?
The IUPAC name of N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide (CID 79541365) is N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide?
The canonical SMILES for N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide is CN(C)C(=O)CCCN1CCCCC1C1CCCCC1=O.
What is the InChIKey of N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide?
The InChIKey is VLQSSDYFEZYRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-18(2)17(21)11-7-13-19-12-6-5-9-15(19)14-8-3-4-10-16(14)20/h14-15H,3-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide?
N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide has a molecular weight of 294.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 79541365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).