5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide

C25H31N3O2 — CID 5040811

IUPAC5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)C2CC2c2ccccc2)ccc1N1CCCCC1
InChIInChI=1S/C25H31N3O2/c1-2-13-26-24(29)22-16-19(11-12-23(22)28-14-7-4-8-15-28)27-25(30)21-17-20(21)18-9-5-3-6-10-18/h3,5-6,9-12,16,20-21H,2,4,7-8,13-15,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyOBGCHADGFXBJFK-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.56
Rot. Bonds7

About 5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide

5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide (PubChem CID 5040811) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide.

Molecular Properties

Compound Name5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide
PubChem CID5040811
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)C2CC2c2ccccc2)ccc1N1CCCCC1
InChIInChI=1S/C25H31N3O2/c1-2-13-26-24(29)22-16-19(11-12-23(22)28-14-7-4-8-15-28)27-25(30)21-17-20(21)18-9-5-3-6-10-18/h3,5-6,9-12,16,20-21H,2,4,7-8,13-15,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyOBGCHADGFXBJFK-UHFFFAOYSA-N
XLogP4.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
CID 42755610
5-[(2-chloro-2-phenylacetyl)amino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755847
N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 3320138
N-[(4-fluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 3978424
5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 4579577
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide
CID 4002213
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-5-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 42762557
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3994769
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757061
5-[(3-ethylphenyl)carbamoylamino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 1067045

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide?
The IUPAC name of 5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide (CID 5040811) is 5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide.
What is the SMILES notation for 5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide?
The canonical SMILES for 5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)C2CC2c2ccccc2)ccc1N1CCCCC1.
What is the InChIKey of 5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide?
The InChIKey is OBGCHADGFXBJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-2-13-26-24(29)22-16-19(11-12-23(22)28-14-7-4-8-15-28)27-25(30)21-17-20(21)18-9-5-3-6-10-18/h3,5-6,9-12,16,20-21H,2,4,7-8,13-15,17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide?
5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide has a molecular weight of 405.54 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide is sourced from PubChem (CID 5040811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).