(E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide

C24H37N3O — CID 92662561

IUPAC(E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide
SMILESC[C@@H]1CCCC[C@H]1N(C)C1CCN(CCNC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H37N3O/c1-20-8-6-7-11-23(20)26(2)22-14-17-27(18-15-22)19-16-25-24(28)13-12-21-9-4-3-5-10-21/h3-5,9-10,12-13,20,22-23H,6-8,11,14-19H2,1-2H3,(H,25,28)/b13-12+/t20-,23-/m1/s1
InChIKeyLWKXJUIYMMWRPW-FJYVLNHRSA-N
MW383.58 g/mol
LogP3.79
Rot. Bonds7

About (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide

(E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide (PubChem CID 92662561) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide
PubChem CID92662561
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name(E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide
SMILESC[C@@H]1CCCC[C@H]1N(C)C1CCN(CCNC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H37N3O/c1-20-8-6-7-11-23(20)26(2)22-14-17-27(18-15-22)19-16-25-24(28)13-12-21-9-4-3-5-10-21/h3-5,9-10,12-13,20,22-23H,6-8,11,14-19H2,1-2H3,(H,25,28)/b13-12+/t20-,23-/m1/s1
InChIKeyLWKXJUIYMMWRPW-FJYVLNHRSA-N
XLogP3.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide with MolForge

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Related Compounds

(E)-3-(2,5-dimethoxyphenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]ethyl]prop-2-enamide
CID 45106232
(E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide
CID 126457232
(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-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide
CID 24789433
(E)-3-(2-methoxyphenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide
CID 46255256
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-3-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 30885116
(E)-N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-phenylprop-2-enamide
CID 44897329
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32968682

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide (CID 92662561) is (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide is C[C@@H]1CCCC[C@H]1N(C)C1CCN(CCNC(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide?
The InChIKey is LWKXJUIYMMWRPW-FJYVLNHRSA-N. The full InChI is InChI=1S/C24H37N3O/c1-20-8-6-7-11-23(20)26(2)22-14-17-27(18-15-22)19-16-25-24(28)13-12-21-9-4-3-5-10-21/h3-5,9-10,12-13,20,22-23H,6-8,11,14-19H2,1-2H3,(H,25,28)/b13-12+/t20-,23-/m1/s1.
What are the key properties of (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide has a molecular weight of 383.58 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[4-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]piperidin-1-yl]ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 92662561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).