1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C18H32N2O2 — CID 27262291

IUPAC1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)C1
InChIInChI=1S/C18H32N2O2/c1-13-10-14(2)12-20(11-13)16(21)15-6-8-19(9-7-15)17(22)18(3,4)5/h13-15H,6-12H2,1-5H3/t13-,14-/m0/s1
InChIKeyJUUXPXHUGFVDRA-KBPBESRZSA-N
MW308.47 g/mol
LogP2.78
Rot. Bonds1

About 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 27262291) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID27262291
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)C1
InChIInChI=1S/C18H32N2O2/c1-13-10-14(2)12-20(11-13)16(21)15-6-8-19(9-7-15)17(22)18(3,4)5/h13-15H,6-12H2,1-5H3/t13-,14-/m0/s1
InChIKeyJUUXPXHUGFVDRA-KBPBESRZSA-N
XLogP2.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42943843
1-[4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807307
1-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 55601159
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55376220
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 100617212
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 27262291) is 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is C[C@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)C1.
What is the InChIKey of 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is JUUXPXHUGFVDRA-KBPBESRZSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-13-10-14(2)12-20(11-13)16(21)15-6-8-19(9-7-15)17(22)18(3,4)5/h13-15H,6-12H2,1-5H3/t13-,14-/m0/s1.
What are the key properties of 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 308.47 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 27262291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).