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

C25H32N2O2 — CID 132659687

IUPAC4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC(C)c2ccc(N3CCC(C)CC3)cc2)ccc1OC
InChIInChI=1S/C25H32N2O2/c1-5-6-21-17-22(9-12-24(21)29-4)25(28)26-19(3)20-7-10-23(11-8-20)27-15-13-18(2)14-16-27/h5,7-12,17-19H,1,6,13-16H2,2-4H3,(H,26,28)
InChIKeyUEPLVUCKTFHGGD-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.15
Rot. Bonds7

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

4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide (PubChem CID 132659687) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
PubChem CID132659687
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC(C)c2ccc(N3CCC(C)CC3)cc2)ccc1OC
InChIInChI=1S/C25H32N2O2/c1-5-6-21-17-22(9-12-24(21)29-4)25(28)26-19(3)20-7-10-23(11-8-20)27-15-13-18(2)14-16-27/h5,7-12,17-19H,1,6,13-16H2,2-4H3,(H,26,28)
InChIKeyUEPLVUCKTFHGGD-UHFFFAOYSA-N
XLogP5.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
CID 132659686
3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100614102
2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100711058
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-nitrobenzamide
CID 99994784
2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132660324
2-(3,4-dimethylphenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132654687
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 132666115
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132662608
3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 132657563
4-(imidazol-1-ylmethyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 94013658
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide?
The IUPAC name of 4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide (CID 132659687) is 4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide.
What is the SMILES notation for 4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide?
The canonical SMILES for 4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)NC(C)c2ccc(N3CCC(C)CC3)cc2)ccc1OC.
What is the InChIKey of 4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide?
The InChIKey is UEPLVUCKTFHGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-5-6-21-17-22(9-12-24(21)29-4)25(28)26-19(3)20-7-10-23(11-8-20)27-15-13-18(2)14-16-27/h5,7-12,17-19H,1,6,13-16H2,2-4H3,(H,26,28).
What are the key properties of 4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide?
4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide has a molecular weight of 392.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide is sourced from PubChem (CID 132659687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).