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

C17H30N2O2 — CID 113003024

IUPAC2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-3-14(4-2)16(20)19-12-8-15(9-13-19)17(21)18-10-6-5-7-11-18/h14-15H,3-13H2,1-2H3
InChIKeyKNRDABSNKHDNDJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.67
Rot. Bonds4

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

2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 113003024) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID113003024
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-3-14(4-2)16(20)19-12-8-15(9-13-19)17(21)18-10-6-5-7-11-18/h14-15H,3-13H2,1-2H3
InChIKeyKNRDABSNKHDNDJ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-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-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988
(2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 94666535
2-(aminomethyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butan-1-one
CID 65229983
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113005259
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methylsulfanylpentan-1-one
CID 84589915
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 113003024) is 2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is KNRDABSNKHDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-14(4-2)16(20)19-12-8-15(9-13-19)17(21)18-10-6-5-7-11-18/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one?
2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 113003024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).