(E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide

C24H34ClN3O2 — CID 24789433

IUPAC(E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide
SMILESCC1CCCCC1N(C)C1CCN(C(=O)CNC(=O)/C=C/c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H34ClN3O2/c1-18-6-3-4-9-22(18)27(2)21-12-14-28(15-13-21)24(30)17-26-23(29)11-10-19-7-5-8-20(25)16-19/h5,7-8,10-11,16,18,21-22H,3-4,6,9,12-15,17H2,1-2H3,(H,26,29)/b11-10+
InChIKeyHFXXTNQBBOELEE-ZHACJKMWSA-N
MW432.01 g/mol
LogP3.97
Rot. Bonds6

About (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide

(E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide (PubChem CID 24789433) has the molecular formula C24H34ClN3O2 and a molecular weight of 432.01 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide
PubChem CID24789433
Molecular FormulaC24H34ClN3O2
Molecular Weight432.01 g/mol
Exact Mass431.23
IUPAC Name(E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide
SMILESCC1CCCCC1N(C)C1CCN(C(=O)CNC(=O)/C=C/c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H34ClN3O2/c1-18-6-3-4-9-22(18)27(2)21-12-14-28(15-13-21)24(30)17-26-23(29)11-10-19-7-5-8-20(25)16-19/h5,7-8,10-11,16,18,21-22H,3-4,6,9,12-15,17H2,1-2H3,(H,26,29)/b11-10+
InChIKeyHFXXTNQBBOELEE-ZHACJKMWSA-N
XLogP3.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide with MolForge

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Related Compounds

(E)-3-(2-methoxyphenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide
CID 46255256
(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-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575
3-(3-chlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77021946
(E)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(dimethylamino)but-2-enamide
CID 166404770
3-(3-chlorophenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 4220867
(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
CID 47209384
tert-butyl N-[2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108916182
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
(E)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-thiophen-2-ylprop-2-enamide
CID 126457232

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide (CID 24789433) is (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide is CC1CCCCC1N(C)C1CCN(C(=O)CNC(=O)/C=C/c2cccc(Cl)c2)CC1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide?
The InChIKey is HFXXTNQBBOELEE-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H34ClN3O2/c1-18-6-3-4-9-22(18)27(2)21-12-14-28(15-13-21)24(30)17-26-23(29)11-10-19-7-5-8-20(25)16-19/h5,7-8,10-11,16,18,21-22H,3-4,6,9,12-15,17H2,1-2H3,(H,26,29)/b11-10+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide has a molecular weight of 432.01 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-[2-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 24789433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).