4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide

C23H28N2O3 — CID 56700231

IUPAC4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1OC
InChIInChI=1S/C23H28N2O3/c1-4-5-17-16-18(6-11-22(17)27-3)23(26)24-19-7-9-20(10-8-19)28-21-12-14-25(2)15-13-21/h4,6-11,16,21H,1,5,12-15H2,2-3H3,(H,24,26)
InChIKeyGWXTWMHEXHXZHI-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.15
Rot. Bonds7

About 4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide

4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide (PubChem CID 56700231) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
PubChem CID56700231
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1OC
InChIInChI=1S/C23H28N2O3/c1-4-5-17-16-18(6-11-22(17)27-3)23(26)24-19-7-9-20(10-8-19)28-21-12-14-25(2)15-13-21/h4,6-11,16,21H,1,5,12-15H2,2-3H3,(H,24,26)
InChIKeyGWXTWMHEXHXZHI-UHFFFAOYSA-N
XLogP4.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide
CID 99948907
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21368139
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 99971328
4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
CID 118063377
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131890028
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367927

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide?
The IUPAC name of 4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide (CID 56700231) is 4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide.
What is the SMILES notation for 4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide?
The canonical SMILES for 4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1OC.
What is the InChIKey of 4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide?
The InChIKey is GWXTWMHEXHXZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-5-17-16-18(6-11-22(17)27-3)23(26)24-19-7-9-20(10-8-19)28-21-12-14-25(2)15-13-21/h4,6-11,16,21H,1,5,12-15H2,2-3H3,(H,24,26).
What are the key properties of 4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide?
4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide has a molecular weight of 380.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide is sourced from PubChem (CID 56700231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).