3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one

C18H32N2O2 — CID 138667582

IUPAC3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(CC(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-14(2)12-17(21)19-10-6-16(7-11-19)13-15(3)18(22)20-8-4-5-9-20/h14-16H,4-13H2,1-3H3
InChIKeyCYUPSHDIFZHSMB-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.92
Rot. Bonds5

About 3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one

3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one (PubChem CID 138667582) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one
PubChem CID138667582
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(CC(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H32N2O2/c1-14(2)12-17(21)19-10-6-16(7-11-19)13-15(3)18(22)20-8-4-5-9-20/h14-16H,4-13H2,1-3H3
InChIKeyCYUPSHDIFZHSMB-UHFFFAOYSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 24719217
2-methyl-5-[1-(3-methylbutanoyl)piperidin-4-yl]-1-(4-methylpiperidin-1-yl)hexan-1-one
CID 138630880
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797304
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119519329
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435
1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 178000194
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693420

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one (CID 138667582) is 3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC(CC(C)C(=O)N2CCCC2)CC1.
What is the InChIKey of 3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one?
The InChIKey is CYUPSHDIFZHSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-14(2)12-17(21)19-10-6-16(7-11-19)13-15(3)18(22)20-8-4-5-9-20/h14-16H,4-13H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one?
3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one has a molecular weight of 308.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 138667582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).