N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide

C24H32N4O — CID 15045457

IUPACN-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CCN2CCN(c3ccccn3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H32N4O/c29-24(21-6-2-1-3-7-21)26-22-11-9-20(10-12-22)13-15-27-16-18-28(19-17-27)23-8-4-5-14-25-23/h1-8,14,20,22H,9-13,15-19H2,(H,26,29)
InChIKeyMNTHFSDLZXHALL-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.58
Rot. Bonds6

About N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide

N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide (PubChem CID 15045457) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide
PubChem CID15045457
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CCN2CCN(c3ccccn3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H32N4O/c29-24(21-6-2-1-3-7-21)26-22-11-9-20(10-12-22)13-15-27-16-18-28(19-17-27)23-8-4-5-14-25-23/h1-8,14,20,22H,9-13,15-19H2,(H,26,29)
InChIKeyMNTHFSDLZXHALL-UHFFFAOYSA-N
XLogP3.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide?
The IUPAC name of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide (CID 15045457) is N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide.
What is the SMILES notation for N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide?
The canonical SMILES for N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide is O=C(NC1CCC(CCN2CCN(c3ccccn3)CC2)CC1)c1ccccc1.
What is the InChIKey of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide?
The InChIKey is MNTHFSDLZXHALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c29-24(21-6-2-1-3-7-21)26-22-11-9-20(10-12-22)13-15-27-16-18-28(19-17-27)23-8-4-5-14-25-23/h1-8,14,20,22H,9-13,15-19H2,(H,26,29).
What are the key properties of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide?
N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide has a molecular weight of 392.55 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]benzamide is sourced from PubChem (CID 15045457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).