5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide

C26H36N4O4 — CID 3541895

IUPAC5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
SMILESCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C26H36N4O4/c1-4-8-25(31)28-20-11-12-22(21(19-20)26(32)27-13-7-18-33-2)29-14-16-30(17-15-29)23-9-5-6-10-24(23)34-3/h5-6,9-12,19H,4,7-8,13-18H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyBLVKBLKEQVSHFO-UHFFFAOYSA-N
MW468.60 g/mol
LogP3.53
Rot. Bonds11

About 5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide

5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide (PubChem CID 3541895) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
PubChem CID3541895
Molecular FormulaC26H36N4O4
Molecular Weight468.60 g/mol
Exact Mass468.27
IUPAC Name5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
SMILESCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C26H36N4O4/c1-4-8-25(31)28-20-11-12-22(21(19-20)26(32)27-13-7-18-33-2)29-14-16-30(17-15-29)23-9-5-6-10-24(23)34-3/h5-6,9-12,19H,4,7-8,13-18H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyBLVKBLKEQVSHFO-UHFFFAOYSA-N
XLogP3.53
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(decanoylamino)-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4603623
5-[(3,4-dimethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
CID 3953573
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 42660053
5-(3-cyclopentylpropanoylamino)-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3494735
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
CID 3294250
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 3960007
5-[(2-methoxybenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 4691580
5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138387
N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4236569
N-(2-methoxyethyl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42756008

Frequently Asked Questions

What is the IUPAC name of 5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide (CID 3541895) is 5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide is CCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NCCCOC)c1.
What is the InChIKey of 5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide?
The InChIKey is BLVKBLKEQVSHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-4-8-25(31)28-20-11-12-22(21(19-20)26(32)27-13-7-18-33-2)29-14-16-30(17-15-29)23-9-5-6-10-24(23)34-3/h5-6,9-12,19H,4,7-8,13-18H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of 5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide?
5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide has a molecular weight of 468.60 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 3541895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).