N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide

C58H73N3O9 — CID 160848606

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
SMILESCOc1cc(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)C/C(C)=C/c2ccccc2)cc(OC)c1OC.COc1cc(C(=O)N(CCCO)C/C(C)=C/c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C35H44N2O4.C23H29NO5/c1-27(22-28-12-7-5-8-13-28)26-37(35(38)31-24-32(39-2)34(41-4)33(25-31)40-3)19-11-18-36-20-16-30(17-21-36)23-29-14-9-6-10-15-29;1-17(13-18-9-6-5-7-10-18)16-24(11-8-12-25)23(26)19-14-20(27-2)22(29-4)21(15-19)28-3/h5-10,12-15,22,24-25,30H,11,16-21,23,26H2,1-4H3;5-7,9-10,13-15,25H,8,11-12,16H2,1-4H3/b27-22+;17-13+
InChIKeySIYUFVOSNAAZEL-SUCDCRECSA-N
MW956.23 g/mol
LogP10.24
Rot. Bonds23

About N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide (PubChem CID 160848606) has the molecular formula C58H73N3O9 and a molecular weight of 956.23 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
PubChem CID160848606
Molecular FormulaC58H73N3O9
Molecular Weight956.23 g/mol
Exact Mass955.53
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
SMILESCOc1cc(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)C/C(C)=C/c2ccccc2)cc(OC)c1OC.COc1cc(C(=O)N(CCCO)C/C(C)=C/c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C35H44N2O4.C23H29NO5/c1-27(22-28-12-7-5-8-13-28)26-37(35(38)31-24-32(39-2)34(41-4)33(25-31)40-3)19-11-18-36-20-16-30(17-21-36)23-29-14-9-6-10-15-29;1-17(13-18-9-6-5-7-10-18)16-24(11-8-12-25)23(26)19-14-20(27-2)22(29-4)21(15-19)28-3/h5-10,12-15,22,24-25,30H,11,16-21,23,26H2,1-4H3;5-7,9-10,13-15,25H,8,11-12,16H2,1-4H3/b27-22+;17-13+
InChIKeySIYUFVOSNAAZEL-SUCDCRECSA-N
XLogP10.24
TPSA119.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.23
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide with MolForge

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Related Compounds

N-[3-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 143088027
N-[3-(3-benzylpiperazin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 87539342
3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42700768
3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 68703499
3,4,5-trimethoxy-N-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 91252358
(2S)-N,N-dimethyl-1-[3-[(2-methyl-3-phenylprop-2-enyl)-(3,4,5-trimethoxybenzoyl)amino]propyl]pyrrolidine-2-carboxamide
CID 68682739
N-[(1-heptanoylpiperidin-4-yl)methyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42705612
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 68682538
(3S)-3-benzyl-1-(2-isocyanoethyl)piperazine;(2S)-2-benzylpiperazine;3-[(3S)-3-benzylpiperazin-1-yl]propan-1-amine;bis((E)-N-[3-[(3S)-3-benzylpiperazin-1-yl]propyl]-2-methyl-3-phenylprop-2-en-1-amine);N-[3-[(3S)-3-benzylpiperazin-1-yl]propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 158017844
4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 10250791
N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 10006833
3-methoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 10000728

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide (CID 160848606) is N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide is COc1cc(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)C/C(C)=C/c2ccccc2)cc(OC)c1OC.COc1cc(C(=O)N(CCCO)C/C(C)=C/c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The InChIKey is SIYUFVOSNAAZEL-SUCDCRECSA-N. The full InChI is InChI=1S/C35H44N2O4.C23H29NO5/c1-27(22-28-12-7-5-8-13-28)26-37(35(38)31-24-32(39-2)34(41-4)33(25-31)40-3)19-11-18-36-20-16-30(17-21-36)23-29-14-9-6-10-15-29;1-17(13-18-9-6-5-7-10-18)16-24(11-8-12-25)23(26)19-14-20(27-2)22(29-4)21(15-19)28-3/h5-10,12-15,22,24-25,30H,11,16-21,23,26H2,1-4H3;5-7,9-10,13-15,25H,8,11-12,16H2,1-4H3/b27-22+;17-13+.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide has a molecular weight of 956.23 g/mol, XLogP of 10.24, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide is sourced from PubChem (CID 160848606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).