1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one

C17H32N2O — CID 806442

IUPAC1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(N2C[C@H](C)C[C@@H](C)C2)CC1
InChIInChI=1S/C17H32N2O/c1-13(2)9-17(20)18-7-5-16(6-8-18)19-11-14(3)10-15(4)12-19/h13-16H,5-12H2,1-4H3/t14-,15-/m1/s1
InChIKeySJZNQHWVOAISLA-HUUCEWRRSA-N
MW280.46 g/mol
LogP3.00
Rot. Bonds3

About 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one

1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 806442) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one
PubChem CID806442
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(N2C[C@H](C)C[C@@H](C)C2)CC1
InChIInChI=1S/C17H32N2O/c1-13(2)9-17(20)18-7-5-16(6-8-18)19-11-14(3)10-15(4)12-19/h13-16H,5-12H2,1-4H3/t14-,15-/m1/s1
InChIKeySJZNQHWVOAISLA-HUUCEWRRSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one;oxalic acid
CID 2912644
1-[4-(3,5-dimethylpiperidin-1-ium-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 4743806
1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
CID 113074898
3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693420
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
2-methyl-5-[1-(3-methylbutanoyl)piperidin-4-yl]-1-(4-methylpiperidin-1-yl)hexan-1-one
CID 138630880
1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 178000194
1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone;oxalic acid
CID 2910783
(7aS)-3-[1-[1-(3-methylbutanoyl)piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 143591931

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one (CID 806442) is 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCC(N2C[C@H](C)C[C@@H](C)C2)CC1.
What is the InChIKey of 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is SJZNQHWVOAISLA-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(2)9-17(20)18-7-5-16(6-8-18)19-11-14(3)10-15(4)12-19/h13-16H,5-12H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one?
1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 806442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).