2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide

C26H30N4O2 — CID 86944965

IUPAC2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C26H30N4O2/c27-19-21-9-3-4-10-22(21)23-11-5-6-12-24(23)25(31)28-13-14-29-15-17-30(18-16-29)26(32)20-7-1-2-8-20/h3-6,9-12,20H,1-2,7-8,13-18H2,(H,28,31)
InChIKeyBPYJJHNDJVXQTF-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.29
Rot. Bonds6

About 2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide

2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 86944965) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide
PubChem CID86944965
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C26H30N4O2/c27-19-21-9-3-4-10-22(21)23-11-5-6-12-24(23)25(31)28-13-14-29-15-17-30(18-16-29)26(32)20-7-1-2-8-20/h3-6,9-12,20H,1-2,7-8,13-18H2,(H,28,31)
InChIKeyBPYJJHNDJVXQTF-UHFFFAOYSA-N
XLogP3.29
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 71896096
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-9-oxofluorene-2-carboxamide
CID 86944761
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26953457
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide
CID 86944988
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide
CID 86944885
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721
2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide
CID 42697337
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86944964
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86945002
2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 135530494

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide (CID 86944965) is 2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide is N#Cc1ccccc1-c1ccccc1C(=O)NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is BPYJJHNDJVXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c27-19-21-9-3-4-10-22(21)23-11-5-6-12-24(23)25(31)28-13-14-29-15-17-30(18-16-29)26(32)20-7-1-2-8-20/h3-6,9-12,20H,1-2,7-8,13-18H2,(H,28,31).
What are the key properties of 2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide?
2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 86944965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).