5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide

C28H39N5O3 — CID 4007114

IUPAC5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)NC2CCCCC2)ccc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C28H39N5O3/c1-3-15-29-27(34)23-20-22(31-28(35)30-21-9-5-4-6-10-21)13-14-24(23)32-16-18-33(19-17-32)25-11-7-8-12-26(25)36-2/h7-8,11-14,20-21H,3-6,9-10,15-19H2,1-2H3,(H,29,34)(H2,30,31,35)
InChIKeyZNGWSQXIJUSWHW-UHFFFAOYSA-N
MW493.65 g/mol
LogP4.62
Rot. Bonds8

About 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide

5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide (PubChem CID 4007114) has the molecular formula C28H39N5O3 and a molecular weight of 493.65 g/mol. Its IUPAC name is 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide.

Molecular Properties

Compound Name5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide
PubChem CID4007114
Molecular FormulaC28H39N5O3
Molecular Weight493.65 g/mol
Exact Mass493.31
IUPAC Name5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)NC2CCCCC2)ccc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C28H39N5O3/c1-3-15-29-27(34)23-20-22(31-28(35)30-21-9-5-4-6-10-21)13-14-24(23)32-16-18-33(19-17-32)25-11-7-8-12-26(25)36-2/h7-8,11-14,20-21H,3-6,9-10,15-19H2,1-2H3,(H,29,34)(H2,30,31,35)
InChIKeyZNGWSQXIJUSWHW-UHFFFAOYSA-N
XLogP4.62
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.62
H-Bond Donors ≤ 53
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-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 4588005
N-cyclohexyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42659981
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1065756
5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42757363
N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3302040
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propylbenzamide
CID 42660869
5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3875300
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(naphthalen-1-ylcarbamoylamino)benzamide
CID 42659968
5-[(4-cyanophenyl)carbamoylamino]-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42659985
N-cyclohexyl-5-[(2,4-difluorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42659973
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
CID 5032555
5-[(3-bromobenzoyl)amino]-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4545097

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide?
The IUPAC name of 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide (CID 4007114) is 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide.
What is the SMILES notation for 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide?
The canonical SMILES for 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)NC2CCCCC2)ccc1N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide?
The InChIKey is ZNGWSQXIJUSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O3/c1-3-15-29-27(34)23-20-22(31-28(35)30-21-9-5-4-6-10-21)13-14-24(23)32-16-18-33(19-17-32)25-11-7-8-12-26(25)36-2/h7-8,11-14,20-21H,3-6,9-10,15-19H2,1-2H3,(H,29,34)(H2,30,31,35).
What are the key properties of 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide?
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide has a molecular weight of 493.65 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide is sourced from PubChem (CID 4007114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).