N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

C24H32N4O — CID 23290944

IUPACN-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
InChIKeyQJFWBEXGRNKZIY-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (PubChem CID 23290944) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
PubChem CID23290944
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
InChIKeyQJFWBEXGRNKZIY-UHFFFAOYSA-N
XLogP3.82
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (CID 23290944) is N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The InChIKey is QJFWBEXGRNKZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2.
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 23290944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).