3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

C14H23ClN2O2 — CID 123912701

IUPAC3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESC=C1CC(Cl)CC(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C14H23ClN2O2/c1-11-8-12(10-13(15)9-11)14(18)16-2-3-17-4-6-19-7-5-17/h12-13H,1-10H2,(H,16,18)
InChIKeyVKNCTFJOMSGJFI-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.40
Rot. Bonds4

About 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 123912701) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID123912701
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESC=C1CC(Cl)CC(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C14H23ClN2O2/c1-11-8-12(10-13(15)9-11)14(18)16-2-3-17-4-6-19-7-5-17/h12-13H,1-10H2,(H,16,18)
InChIKeyVKNCTFJOMSGJFI-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide 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-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689653
3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
CID 177227551
N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
CID 51250747
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
1-cyclobutyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110687457
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
(3R)-1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 7328647
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111030584
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (CID 123912701) is 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is C=C1CC(Cl)CC(C(=O)NCCN2CCOCC2)C1.
What is the InChIKey of 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is VKNCTFJOMSGJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-11-8-12(10-13(15)9-11)14(18)16-2-3-17-4-6-19-7-5-17/h12-13H,1-10H2,(H,16,18).
What are the key properties of 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 286.80 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 123912701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).