1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one

C18H32N2O2 — CID 113005749

IUPAC1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCCC1CCCCN1C(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C18H32N2O2/c1-4-16-7-5-6-10-20(16)18(22)15-8-11-19(12-9-15)17(21)13-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyNALPFMGLUIHITC-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.06
Rot. Bonds4

About 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one

1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 113005749) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID113005749
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCCC1CCCCN1C(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C18H32N2O2/c1-4-16-7-5-6-10-20(16)18(22)15-8-11-19(12-9-15)17(21)13-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyNALPFMGLUIHITC-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113005746
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131933868
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797304
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
ethyl 4-[1-(3-methylbutanoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 113005128
3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693420
[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17223347
3-methyl-1-[4-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 126445130

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one (CID 113005749) is 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one is CCC1CCCCN1C(=O)C1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is NALPFMGLUIHITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-16-7-5-6-10-20(16)18(22)15-8-11-19(12-9-15)17(21)13-14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one?
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 308.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 113005749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).