(E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide

C23H37N3OS — CID 126457232

IUPAC(E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide
SMILESCC1CCCCC1N(C)C1CCN(CCCNC(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C23H37N3OS/c1-19-7-3-4-9-22(19)25(2)20-12-16-26(17-13-20)15-6-14-24-23(27)11-10-21-8-5-18-28-21/h5,8,10-11,18-20,22H,3-4,6-7,9,12-17H2,1-2H3,(H,24,27)/b11-10+
InChIKeyJULDRBVVYBVBBQ-ZHACJKMWSA-N
MW403.64 g/mol
LogP4.24
Rot. Bonds8

About (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 126457232) has the molecular formula C23H37N3OS and a molecular weight of 403.64 g/mol. Its IUPAC name is (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID126457232
Molecular FormulaC23H37N3OS
Molecular Weight403.64 g/mol
Exact Mass403.27
IUPAC Name(E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide
SMILESCC1CCCCC1N(C)C1CCN(CCCNC(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C23H37N3OS/c1-19-7-3-4-9-22(19)25(2)20-12-16-26(17-13-20)15-6-14-24-23(27)11-10-21-8-5-18-28-21/h5,8,10-11,18-20,22H,3-4,6-7,9,12-17H2,1-2H3,(H,24,27)/b11-10+
InChIKeyJULDRBVVYBVBBQ-ZHACJKMWSA-N
XLogP4.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.64
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide 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

(E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide
CID 92662561
(E)-3-(2,4-dichlorophenyl)-N-[3-[4-[methyl-[(1R,2S)-2-methylcyclohexyl]amino]piperidin-1-yl]propyl]prop-2-enamide
CID 92662572
(E)-3-(2,5-dimethoxyphenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]ethyl]prop-2-enamide
CID 45106232
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-3-thiophen-2-yl-N-[2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 2316494
3-thiophen-2-yl-N-[2-[4-(3-thiophen-2-ylprop-2-enoyl)piperazin-1-yl]ethyl]prop-2-enamide;hydrochloride
CID 73242683
(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
CID 92909639
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
CID 24708663
(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 104971901
(E)-3-(2,6-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]prop-2-enamide
CID 47888977
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide (CID 126457232) is (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide is CC1CCCCC1N(C)C1CCN(CCCNC(=O)/C=C/c2cccs2)CC1.
What is the InChIKey of (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is JULDRBVVYBVBBQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H37N3OS/c1-19-7-3-4-9-22(19)25(2)20-12-16-26(17-13-20)15-6-14-24-23(27)11-10-21-8-5-18-28-21/h5,8,10-11,18-20,22H,3-4,6-7,9,12-17H2,1-2H3,(H,24,27)/b11-10+.
What are the key properties of (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 403.64 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 126457232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).