N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide

C21H26N4O — CID 126510199

IUPACN-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
SMILESO=C(NC1CCCC1)c1ccc(-c2ccc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C21H26N4O/c26-21(24-19-3-1-2-4-19)17-7-5-16(6-8-17)18-9-10-20(23-15-18)25-13-11-22-12-14-25/h5-10,15,19,22H,1-4,11-14H2,(H,24,26)
InChIKeyJNEIPJSKHVUJLF-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.83
Rot. Bonds4

About N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide

N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide (PubChem CID 126510199) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
PubChem CID126510199
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
SMILESO=C(NC1CCCC1)c1ccc(-c2ccc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C21H26N4O/c26-21(24-19-3-1-2-4-19)17-7-5-16(6-8-17)18-9-10-20(23-15-18)25-13-11-22-12-14-25/h5-10,15,19,22H,1-4,11-14H2,(H,24,26)
InChIKeyJNEIPJSKHVUJLF-UHFFFAOYSA-N
XLogP2.83
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide (CID 126510199) is N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide is O=C(NC1CCCC1)c1ccc(-c2ccc(N3CCNCC3)nc2)cc1.
What is the InChIKey of N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide?
The InChIKey is JNEIPJSKHVUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(24-19-3-1-2-4-19)17-7-5-16(6-8-17)18-9-10-20(23-15-18)25-13-11-22-12-14-25/h5-10,15,19,22H,1-4,11-14H2,(H,24,26).
What are the key properties of N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide?
N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide has a molecular weight of 350.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 126510199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).