5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide

C28H38N4O3 — CID 1064418

IUPAC5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)NCC(C)C)CC1
InChIInChI=1S/C28H38N4O3/c1-20(2)19-29-28(34)23-18-22(30-27(33)21-8-4-5-9-21)12-13-24(23)31-14-16-32(17-15-31)25-10-6-7-11-26(25)35-3/h6-7,10-13,18,20-21H,4-5,8-9,14-17,19H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyWAEBBILYYFJXJF-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.54
Rot. Bonds8

About 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide

5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide (PubChem CID 1064418) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
PubChem CID1064418
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Name5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)NCC(C)C)CC1
InChIInChI=1S/C28H38N4O3/c1-20(2)19-29-28(34)23-18-22(30-27(33)21-8-4-5-9-21)12-13-24(23)31-14-16-32(17-15-31)25-10-6-7-11-26(25)35-3/h6-7,10-13,18,20-21H,4-5,8-9,14-17,19H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyWAEBBILYYFJXJF-UHFFFAOYSA-N
XLogP4.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1063749
5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1063748
5-(cyclohexanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 5177312
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 1064562
5-(benzylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 1064613
5-(cyclobutanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 4007394
5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063157
5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 42752990
5-[(3-fluorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 1064415
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 42752775
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 42752791
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide
CID 4007114

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide (CID 1064418) is 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)NCC(C)C)CC1.
What is the InChIKey of 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide?
The InChIKey is WAEBBILYYFJXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-20(2)19-29-28(34)23-18-22(30-27(33)21-8-4-5-9-21)12-13-24(23)31-14-16-32(17-15-31)25-10-6-7-11-26(25)35-3/h6-7,10-13,18,20-21H,4-5,8-9,14-17,19H2,1-3H3,(H,29,34)(H,30,33).
What are the key properties of 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide?
5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide has a molecular weight of 478.64 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1064418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).