2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline

C61H74Cl4N4O8 — CID 158237197

IUPAC2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline
SMILESC=CCC(C(=O)Cl)c1cccc(Cl)c1.C=CCC(C(=O)Nc1ccc(OC)c(OCCN2CCCCC2)c1)c1cccc(Cl)c1.C=CCC(C(=O)O)c1cccc(Cl)c1.COc1ccc(N)cc1OCCN1CCCCC1
InChIInChI=1S/C25H31ClN2O3.C14H22N2O2.C11H10Cl2O.C11H11ClO2/c1-3-8-22(19-9-7-10-20(26)17-19)25(29)27-21-11-12-23(30-2)24(18-21)31-16-15-28-13-5-4-6-14-28;1-17-13-6-5-12(15)11-14(13)18-10-9-16-7-3-2-4-8-16;2*1-2-4-10(11(13)14)8-5-3-6-9(12)7-8/h3,7,9-12,17-18,22H,1,4-6,8,13-16H2,2H3,(H,27,29);5-6,11H,2-4,7-10,15H2,1H3;2-3,5-7,10H,1,4H2;2-3,5-7,10H,1,4H2,(H,13,14)
InChIKeyGFCKXZFKPSTTBC-UHFFFAOYSA-N
MW1133.10 g/mol
LogP14.50
Rot. Bonds23

About 2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline

2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline (PubChem CID 158237197) has the molecular formula C61H74Cl4N4O8 and a molecular weight of 1133.10 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline
PubChem CID158237197
Molecular FormulaC61H74Cl4N4O8
Molecular Weight1133.10 g/mol
Exact Mass1130.43
IUPAC Name2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline
SMILESC=CCC(C(=O)Cl)c1cccc(Cl)c1.C=CCC(C(=O)Nc1ccc(OC)c(OCCN2CCCCC2)c1)c1cccc(Cl)c1.C=CCC(C(=O)O)c1cccc(Cl)c1.COc1ccc(N)cc1OCCN1CCCCC1
InChIInChI=1S/C25H31ClN2O3.C14H22N2O2.C11H10Cl2O.C11H11ClO2/c1-3-8-22(19-9-7-10-20(26)17-19)25(29)27-21-11-12-23(30-2)24(18-21)31-16-15-28-13-5-4-6-14-28;1-17-13-6-5-12(15)11-14(13)18-10-9-16-7-3-2-4-8-16;2*1-2-4-10(11(13)14)8-5-3-6-9(12)7-8/h3,7,9-12,17-18,22H,1,4-6,8,13-16H2,2H3,(H,27,29);5-6,11H,2-4,7-10,15H2,1H3;2-3,5-7,10H,1,4H2;2-3,5-7,10H,1,4H2,(H,13,14)
InChIKeyGFCKXZFKPSTTBC-UHFFFAOYSA-N
XLogP14.50
TPSA152.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.10
LogP ≤ 514.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpent-4-enamide;2-(3,4-dichlorophenyl)-3-methylpent-4-enoic acid;2-(3,4-dichlorophenyl)-3-methylpent-4-enoyl chloride
CID 158230659
1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(1S)-1-phenylethyl]urea
CID 71462874
2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide
CID 86597114
4-chloro-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitrobenzamide
CID 58980869
2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
CID 51243795
(Z)-but-2-enedioic acid;3-chloro-5-(4-chlorophenyl)-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 44528974
2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 141047368
(E)-3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 42311398
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 71459467

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline (CID 158237197) is 2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline is C=CCC(C(=O)Cl)c1cccc(Cl)c1.C=CCC(C(=O)Nc1ccc(OC)c(OCCN2CCCCC2)c1)c1cccc(Cl)c1.C=CCC(C(=O)O)c1cccc(Cl)c1.COc1ccc(N)cc1OCCN1CCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline?
The InChIKey is GFCKXZFKPSTTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O3.C14H22N2O2.C11H10Cl2O.C11H11ClO2/c1-3-8-22(19-9-7-10-20(26)17-19)25(29)27-21-11-12-23(30-2)24(18-21)31-16-15-28-13-5-4-6-14-28;1-17-13-6-5-12(15)11-14(13)18-10-9-16-7-3-2-4-8-16;2*1-2-4-10(11(13)14)8-5-3-6-9(12)7-8/h3,7,9-12,17-18,22H,1,4-6,8,13-16H2,2H3,(H,27,29);5-6,11H,2-4,7-10,15H2,1H3;2-3,5-7,10H,1,4H2;2-3,5-7,10H,1,4H2,(H,13,14).
What are the key properties of 2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline?
2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline has a molecular weight of 1133.10 g/mol, XLogP of 14.50, 23 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pent-4-enamide;2-(3-chlorophenyl)pent-4-enoic acid;2-(3-chlorophenyl)pent-4-enoyl chloride;4-methoxy-3-(2-piperidin-1-ylethoxy)aniline is sourced from PubChem (CID 158237197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).