bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone

C32H56N2O2 — CID 159841233

IUPACbis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone
SMILESC.CC(C)(C)C.CC(C)(C)C.CC(C)Cn1ccccc1=O.O=C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C12H15NO.C9H13NO.2C5H12.CH4/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13;1-8(2)7-10-6-4-3-5-9(10)11;2*1-5(2,3)4;/h1,3-4,7-8H,2,5-6,9-10H2;3-6,8H,7H2,1-2H3;2*1-4H3;1H4
InChIKeyNORWHGOHYRXQGP-UHFFFAOYSA-N
MW500.81 g/mol
LogP8.56
Rot. Bonds3

About bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone

bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone (PubChem CID 159841233) has the molecular formula C32H56N2O2 and a molecular weight of 500.81 g/mol. Its IUPAC name is bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone.

Molecular Properties

Compound Namebis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone
PubChem CID159841233
Molecular FormulaC32H56N2O2
Molecular Weight500.81 g/mol
Exact Mass500.43
IUPAC Namebis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone
SMILESC.CC(C)(C)C.CC(C)(C)C.CC(C)Cn1ccccc1=O.O=C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C12H15NO.C9H13NO.2C5H12.CH4/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13;1-8(2)7-10-6-4-3-5-9(10)11;2*1-5(2,3)4;/h1,3-4,7-8H,2,5-6,9-10H2;3-6,8H,7H2,1-2H3;2*1-4H3;1H4
InChIKeyNORWHGOHYRXQGP-UHFFFAOYSA-N
XLogP8.56
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.81
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 60773689
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
3-(4-benzoyl-1,4-diazepane-1-carbonyl)-3,5-dimethylhexanoic acid
CID 132972452
[7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone
CID 129069861
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
methyl formate;phenyl(pyrrolidin-1-yl)methanone
CID 145150279
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 46578919
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
CID 74249419

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone?
The IUPAC name of bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone (CID 159841233) is bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone.
What is the SMILES notation for bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone?
The canonical SMILES for bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone is C.CC(C)(C)C.CC(C)(C)C.CC(C)Cn1ccccc1=O.O=C(c1ccccc1)N1CCCCC1.
What is the InChIKey of bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone?
The InChIKey is NORWHGOHYRXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C9H13NO.2C5H12.CH4/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13;1-8(2)7-10-6-4-3-5-9(10)11;2*1-5(2,3)4;/h1,3-4,7-8H,2,5-6,9-10H2;3-6,8H,7H2,1-2H3;2*1-4H3;1H4.
What are the key properties of bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone?
bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone has a molecular weight of 500.81 g/mol, XLogP of 8.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone is sourced from PubChem (CID 159841233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).