N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide

C32H35N5O7 — CID 23939947

IUPACN-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)N3CCNCC3)ccc2N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC
InChIInChI=1S/C32H35N5O7/c1-41-26-7-4-21(18-28(26)42-2)30(38)34-24-17-22(31(39)36-11-9-33-10-12-36)3-6-25(24)35-13-15-37(16-14-35)32(40)23-5-8-27-29(19-23)44-20-43-27/h3-8,17-19,33H,9-16,20H2,1-2H3,(H,34,38)
InChIKeyJCOLOPZNEMNEDO-UHFFFAOYSA-N
MW601.66 g/mol
LogP2.69
Rot. Bonds7

About N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide

N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 23939947) has the molecular formula C32H35N5O7 and a molecular weight of 601.66 g/mol. Its IUPAC name is N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide
PubChem CID23939947
Molecular FormulaC32H35N5O7
Molecular Weight601.66 g/mol
Exact Mass601.25
IUPAC NameN-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)N3CCNCC3)ccc2N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC
InChIInChI=1S/C32H35N5O7/c1-41-26-7-4-21(18-28(26)42-2)30(38)34-24-17-22(31(39)36-11-9-33-10-12-36)3-6-25(24)35-13-15-37(16-14-35)32(40)23-5-8-27-29(19-23)44-20-43-27/h3-8,17-19,33H,9-16,20H2,1-2H3,(H,34,38)
InChIKeyJCOLOPZNEMNEDO-UHFFFAOYSA-N
XLogP2.69
TPSA121.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.66
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide with MolForge

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Related Compounds

methyl N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate
CID 23796609
N-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluorobenzamide
CID 23763411
N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]phenyl]-4-fluorobenzamide
CID 23878220
N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide
CID 23934497
N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23910157
N-[2-methyl-4-(piperazine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 23828275
1,3-benzodioxol-5-yl-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543812
N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 23966557
N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 23819123
4-cyano-N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide
CID 23967350
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide
CID 23882847
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide (CID 23939947) is N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(C(=O)N3CCNCC3)ccc2N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC.
What is the InChIKey of N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is JCOLOPZNEMNEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O7/c1-41-26-7-4-21(18-28(26)42-2)30(38)34-24-17-22(31(39)36-11-9-33-10-12-36)3-6-25(24)35-13-15-37(16-14-35)32(40)23-5-8-27-29(19-23)44-20-43-27/h3-8,17-19,33H,9-16,20H2,1-2H3,(H,34,38).
What are the key properties of N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide?
N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 601.66 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23939947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).