N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide

C21H28N4O2 — CID 34425568

IUPACN-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCN(C(=O)CCC3CCCC3)CC2)c1
InChIInChI=1S/C21H28N4O2/c22-15-18-6-3-7-19(14-18)23-20(26)16-24-10-12-25(13-11-24)21(27)9-8-17-4-1-2-5-17/h3,6-7,14,17H,1-2,4-5,8-13,16H2,(H,23,26)
InChIKeyVLCSMQSNGFNGGR-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.61
Rot. Bonds6

About N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide

N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 34425568) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide
PubChem CID34425568
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCN(C(=O)CCC3CCCC3)CC2)c1
InChIInChI=1S/C21H28N4O2/c22-15-18-6-3-7-19(14-18)23-20(26)16-24-10-12-25(13-11-24)21(27)9-8-17-4-1-2-5-17/h3,6-7,14,17H,1-2,4-5,8-13,16H2,(H,23,26)
InChIKeyVLCSMQSNGFNGGR-UHFFFAOYSA-N
XLogP2.61
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide
CID 63119187
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide (CID 34425568) is N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide is N#Cc1cccc(NC(=O)CN2CCN(C(=O)CCC3CCCC3)CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is VLCSMQSNGFNGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c22-15-18-6-3-7-19(14-18)23-20(26)16-24-10-12-25(13-11-24)21(27)9-8-17-4-1-2-5-17/h3,6-7,14,17H,1-2,4-5,8-13,16H2,(H,23,26).
What are the key properties of N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide?
N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 34425568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).