3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide

C29H33N3O3 — CID 39172679

IUPAC3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C29H33N3O3/c1-3-19-35-27-14-13-23(20-28(27)34-2)29(33)30-21-24-9-7-8-10-25(24)22-31-15-17-32(18-16-31)26-11-5-4-6-12-26/h3-14,20H,1,15-19,21-22H2,2H3,(H,30,33)
InChIKeyWRARWZDSEWZGMY-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.51
Rot. Bonds10

About 3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide

3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide (PubChem CID 39172679) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide
PubChem CID39172679
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C29H33N3O3/c1-3-19-35-27-14-13-23(20-28(27)34-2)29(33)30-21-24-9-7-8-10-25(24)22-31-15-17-32(18-16-31)26-11-5-4-6-12-26/h3-14,20H,1,15-19,21-22H2,2H3,(H,30,33)
InChIKeyWRARWZDSEWZGMY-UHFFFAOYSA-N
XLogP4.51
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 42315476
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17427270
3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
CID 24624995
3-(3-chloro-4-methoxyphenyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55661061
2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 36554280
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 39172813

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide (CID 39172679) is 3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1OC.
What is the InChIKey of 3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide?
The InChIKey is WRARWZDSEWZGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-3-19-35-27-14-13-23(20-28(27)34-2)29(33)30-21-24-9-7-8-10-25(24)22-31-15-17-32(18-16-31)26-11-5-4-6-12-26/h3-14,20H,1,15-19,21-22H2,2H3,(H,30,33).
What are the key properties of 3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide?
3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide has a molecular weight of 471.60 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 39172679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).