N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide

C25H31N3O2 — CID 1066233

IUPACN-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide
SMILESCC[C@@H](C(=O)Nc1ccc(N2CCCCC2)c(C(=O)NC2CC2)c1)c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-2-21(18-9-5-3-6-10-18)24(29)27-20-13-14-23(28-15-7-4-8-16-28)22(17-20)25(30)26-19-11-12-19/h3,5-6,9-10,13-14,17,19,21H,2,4,7-8,11-12,15-16H2,1H3,(H,26,30)(H,27,29)/t21-/m1/s1
InChIKeyFNJOJQVAMKRTOP-OAQYLSRUSA-N
MW405.54 g/mol
LogP4.70
Rot. Bonds7

About N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide

N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide (PubChem CID 1066233) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide
PubChem CID1066233
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide
SMILESCC[C@@H](C(=O)Nc1ccc(N2CCCCC2)c(C(=O)NC2CC2)c1)c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-2-21(18-9-5-3-6-10-18)24(29)27-20-13-14-23(28-15-7-4-8-16-28)22(17-20)25(30)26-19-11-12-19/h3,5-6,9-10,13-14,17,19,21H,2,4,7-8,11-12,15-16H2,1H3,(H,26,30)(H,27,29)/t21-/m1/s1
InChIKeyFNJOJQVAMKRTOP-OAQYLSRUSA-N
XLogP4.70
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 ≤ 54.70
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-[[(2S)-2-chloro-2-phenylacetyl]amino]-N-cyclopropyl-2-piperidin-1-ylbenzamide
CID 1066243
N-(2-methylpropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42751052
5-[(2-chloro-2-phenylacetyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42752807
N-[[(2S)-oxolan-2-yl]methyl]-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide
CID 1055116
N-[2-(diethylamino)ethyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756097
N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42757207
5-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064488
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(2-phenylbutanoylamino)benzamide
CID 3948470
5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064478
2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-[(2,2-diphenylacetyl)amino]benzamide
CID 4239888
N-cyclopropyl-5-[(2-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065611
5-[(2-chloro-2-phenylacetyl)amino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755847

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide (CID 1066233) is N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide is CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)c(C(=O)NC2CC2)c1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide?
The InChIKey is FNJOJQVAMKRTOP-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-2-21(18-9-5-3-6-10-18)24(29)27-20-13-14-23(28-15-7-4-8-16-28)22(17-20)25(30)26-19-11-12-19/h3,5-6,9-10,13-14,17,19,21H,2,4,7-8,11-12,15-16H2,1H3,(H,26,30)(H,27,29)/t21-/m1/s1.
What are the key properties of N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide?
N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide has a molecular weight of 405.54 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1066233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).