N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide

C25H33N3O — CID 86928115

IUPACN-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1Cc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C25H33N3O/c1-20(27-15-17-28(18-16-27)23-12-6-7-13-23)25(29)26-24-14-8-5-11-22(24)19-21-9-3-2-4-10-21/h2-5,8-11,14,20,23H,6-7,12-13,15-19H2,1H3,(H,26,29)
InChIKeyMTQFJVBVUQYBSY-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.16
Rot. Bonds6

About N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide

N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide (PubChem CID 86928115) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide
PubChem CID86928115
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1Cc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C25H33N3O/c1-20(27-15-17-28(18-16-27)23-12-6-7-13-23)25(29)26-24-14-8-5-11-22(24)19-21-9-3-2-4-10-21/h2-5,8-11,14,20,23H,6-7,12-13,15-19H2,1H3,(H,26,29)
InChIKeyMTQFJVBVUQYBSY-UHFFFAOYSA-N
XLogP4.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580
N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 71933436
2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide
CID 86928080
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 51086745
N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
CID 86959364
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide
CID 43211808
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 86928056
N-(2-benzylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113013
(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
CID 97064355
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide (CID 86928115) is N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide is CC(C(=O)Nc1ccccc1Cc1ccccc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide?
The InChIKey is MTQFJVBVUQYBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-20(27-15-17-28(18-16-27)23-12-6-7-13-23)25(29)26-24-14-8-5-11-22(24)19-21-9-3-2-4-10-21/h2-5,8-11,14,20,23H,6-7,12-13,15-19H2,1H3,(H,26,29).
What are the key properties of N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide?
N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide has a molecular weight of 391.56 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide is sourced from PubChem (CID 86928115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).