1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide

C23H38N4O4 — CID 166367766

IUPAC1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide
SMILESCCN1CC(C(=O)N2CCCCCC(NC(=O)C3CCCC(C(N)=O)C3)C2)CCC1=O
InChIInChI=1S/C23H38N4O4/c1-2-26-14-18(10-11-20(26)28)23(31)27-12-5-3-4-9-19(15-27)25-22(30)17-8-6-7-16(13-17)21(24)29/h16-19H,2-15H2,1H3,(H2,24,29)(H,25,30)
InChIKeyBEUCCZMUPOLACP-UHFFFAOYSA-N
MW434.58 g/mol
LogP1.42
Rot. Bonds5

About 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide

1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide (PubChem CID 166367766) has the molecular formula C23H38N4O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide
PubChem CID166367766
Molecular FormulaC23H38N4O4
Molecular Weight434.58 g/mol
Exact Mass434.29
IUPAC Name1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide
SMILESCCN1CC(C(=O)N2CCCCCC(NC(=O)C3CCCC(C(N)=O)C3)C2)CCC1=O
InChIInChI=1S/C23H38N4O4/c1-2-26-14-18(10-11-20(26)28)23(31)27-12-5-3-4-9-19(15-27)25-22(30)17-8-6-7-16(13-17)21(24)29/h16-19H,2-15H2,1H3,(H2,24,29)(H,25,30)
InChIKeyBEUCCZMUPOLACP-UHFFFAOYSA-N
XLogP1.42
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide 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

N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
CID 166367740
N-[(3S)-1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]-3-methylbut-2-enamide
CID 166367772
2-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]-1H-pyrrole-2,5-dicarboxamide
CID 167764244
2-amino-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]-3-methylbenzamide
CID 166367677
N-[(3S)-1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]-4-methoxy-3-methylbenzamide
CID 167921294
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45200305
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
CID 25447256
ethyl 1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 43424047
N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]acetamide;hydrochloride
CID 119722344
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide?
The IUPAC name of 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide (CID 166367766) is 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide?
The canonical SMILES for 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide is CCN1CC(C(=O)N2CCCCCC(NC(=O)C3CCCC(C(N)=O)C3)C2)CCC1=O.
What is the InChIKey of 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide?
The InChIKey is BEUCCZMUPOLACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O4/c1-2-26-14-18(10-11-20(26)28)23(31)27-12-5-3-4-9-19(15-27)25-22(30)17-8-6-7-16(13-17)21(24)29/h16-19H,2-15H2,1H3,(H2,24,29)(H,25,30).
What are the key properties of 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide?
1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide has a molecular weight of 434.58 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 166367766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).