N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide

C31H37N3O5 — CID 10029987

IUPACN-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C31H37N3O5/c1-37-27-20-25(21-28(38-2)30(27)39-3)31(36)32-14-15-33-16-18-34(19-17-33)29(35)22-26(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,20-21,26H,14-19,22H2,1-3H3,(H,32,36)
InChIKeyLSUAEPIZKSXCLP-UHFFFAOYSA-N
MW531.65 g/mol
LogP3.81
Rot. Bonds11

About N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide

N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 10029987) has the molecular formula C31H37N3O5 and a molecular weight of 531.65 g/mol. Its IUPAC name is N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
PubChem CID10029987
Molecular FormulaC31H37N3O5
Molecular Weight531.65 g/mol
Exact Mass531.27
IUPAC NameN-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C31H37N3O5/c1-37-27-20-25(21-28(38-2)30(27)39-3)31(36)32-14-15-33-16-18-34(19-17-33)29(35)22-26(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,20-21,26H,14-19,22H2,1-3H3,(H,32,36)
InChIKeyLSUAEPIZKSXCLP-UHFFFAOYSA-N
XLogP3.81
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.65
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[3-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]benzamide
CID 141218433
3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
CID 110357561
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
3,4,5-trimethoxy-N-[2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazin-1-yl]ethyl]benzamide
CID 10695574
1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 20795205
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
(3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29105223
3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110408508
N-[3-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 141250660
3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46601420
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide (CID 10029987) is N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is LSUAEPIZKSXCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O5/c1-37-27-20-25(21-28(38-2)30(27)39-3)31(36)32-14-15-33-16-18-34(19-17-33)29(35)22-26(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,20-21,26H,14-19,22H2,1-3H3,(H,32,36).
What are the key properties of N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide?
N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 531.65 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 10029987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).