N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide

C28H40N4O6 — CID 4077212

IUPACN-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCN2CCN(CCCNC(=O)c3cc(OC)cc(OC)c3)CC2)c1
InChIInChI=1S/C28H40N4O6/c1-35-23-15-21(16-24(19-23)36-2)27(33)29-7-5-9-31-11-13-32(14-12-31)10-6-8-30-28(34)22-17-25(37-3)20-26(18-22)38-4/h15-20H,5-14H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyJBWOXAWFZYIXNQ-UHFFFAOYSA-N
MW528.65 g/mol
LogP2.28
Rot. Bonds14

About N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide

N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide (PubChem CID 4077212) has the molecular formula C28H40N4O6 and a molecular weight of 528.65 g/mol. Its IUPAC name is N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide
PubChem CID4077212
Molecular FormulaC28H40N4O6
Molecular Weight528.65 g/mol
Exact Mass528.29
IUPAC NameN-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCN2CCN(CCCNC(=O)c3cc(OC)cc(OC)c3)CC2)c1
InChIInChI=1S/C28H40N4O6/c1-35-23-15-21(16-24(19-23)36-2)27(33)29-7-5-9-31-11-13-32(14-12-31)10-6-8-30-28(34)22-17-25(37-3)20-26(18-22)38-4/h15-20H,5-14H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyJBWOXAWFZYIXNQ-UHFFFAOYSA-N
XLogP2.28
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.65
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Troxipide
CID 5597
Piperazine, 1,4-bis(3,4,5-trimethoxybenzoyl)-
CID 120984
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995
1-(3-Phenylprop-2-enyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
CID 1048988
3-methoxy-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 3118713
Tricetamide
CID 67763
N-Benzyl-3,4,5-trimethoxybenzamide
CID 736962
N-benzhydryl-3,5-dimethoxybenzamide
CID 873122
3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 1243032
3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2462542

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide (CID 4077212) is N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCCN2CCN(CCCNC(=O)c3cc(OC)cc(OC)c3)CC2)c1.
What is the InChIKey of N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide?
The InChIKey is JBWOXAWFZYIXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O6/c1-35-23-15-21(16-24(19-23)36-2)27(33)29-7-5-9-31-11-13-32(14-12-31)10-6-8-30-28(34)22-17-25(37-3)20-26(18-22)38-4/h15-20H,5-14H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide?
N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide has a molecular weight of 528.65 g/mol, XLogP of 2.28, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[(3,5-dimethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 4077212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).