3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide

C26H36N4O4 — CID 2930666

IUPAC3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCN2CCN(CCCNC(=O)c3cccc(OC)c3)CC2)c1
InChIInChI=1S/C26H36N4O4/c1-33-23-9-3-7-21(19-23)25(31)27-11-5-13-29-15-17-30(18-16-29)14-6-12-28-26(32)22-8-4-10-24(20-22)34-2/h3-4,7-10,19-20H,5-6,11-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyCNPHRHNXQPLBEW-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.26
Rot. Bonds12

About 3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide

3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide (PubChem CID 2930666) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
PubChem CID2930666
Molecular FormulaC26H36N4O4
Molecular Weight468.60 g/mol
Exact Mass468.27
IUPAC Name3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCN2CCN(CCCNC(=O)c3cccc(OC)c3)CC2)c1
InChIInChI=1S/C26H36N4O4/c1-33-23-9-3-7-21(19-23)25(31)27-11-5-13-29-15-17-30(18-16-29)14-6-12-28-26(32)22-8-4-10-24(20-22)34-2/h3-4,7-10,19-20H,5-6,11-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyCNPHRHNXQPLBEW-UHFFFAOYSA-N
XLogP2.26
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Snc 80
CID 123924
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CID 71765531
(9Z,12Z)-N-(3-Methoxybenzyl)Octadeca-9,12-Dienamide
CID 73346043
PF-429242
CID 23661637
N-(4-methoxyphenethyl)benzamide
CID 3083797
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
N-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232
2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
N,N-diethyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide
CID 53257621
Benzamide, N,N'-(2,2-dimethyl-1,3-propanediyl)bis(4-methoxy-
CID 2850150

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide (CID 2930666) is 3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide is COc1cccc(C(=O)NCCCN2CCN(CCCNC(=O)c3cccc(OC)c3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The InChIKey is CNPHRHNXQPLBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-33-23-9-3-7-21(19-23)25(31)27-11-5-13-29-15-17-30(18-16-29)14-6-12-28-26(32)22-8-4-10-24(20-22)34-2/h3-4,7-10,19-20H,5-6,11-18H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide has a molecular weight of 468.60 g/mol, XLogP of 2.26, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[4-[3-[(3-methoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 2930666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).