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

C17H30N2O2 — CID 113005746

IUPAC1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C17H30N2O2/c1-3-7-16(20)18-12-9-14(10-13-18)17(21)19-11-6-5-8-15(19)4-2/h14-15H,3-13H2,1-2H3
InChIKeyIDIXIBKEJGCNSG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.82
Rot. Bonds4

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

1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 113005746) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID113005746
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C17H30N2O2/c1-3-7-16(20)18-12-9-14(10-13-18)17(21)19-11-6-5-8-15(19)4-2/h14-15H,3-13H2,1-2H3
InChIKeyIDIXIBKEJGCNSG-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-3-methylbutan-1-one
CID 113005749
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131933868
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113005765
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17223347
4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 113005798
N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145110

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 113005746) is 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(C(=O)N2CCCCC2CC)CC1.
What is the InChIKey of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is IDIXIBKEJGCNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-7-16(20)18-12-9-14(10-13-18)17(21)19-11-6-5-8-15(19)4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.82, 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]butan-1-one is sourced from PubChem (CID 113005746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).