N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide

C25H34N4O2 — CID 5310238

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide
SMILESCOc1ccccc1N1CCN(C(CNC(=O)C2CCCCC2)c2cccnc2)CC1
InChIInChI=1S/C25H34N4O2/c1-31-24-12-6-5-11-22(24)28-14-16-29(17-15-28)23(21-10-7-13-26-18-21)19-27-25(30)20-8-3-2-4-9-20/h5-7,10-13,18,20,23H,2-4,8-9,14-17,19H2,1H3,(H,27,30)
InChIKeyKYFMZTOOXJOANK-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.65
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide (PubChem CID 5310238) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide
PubChem CID5310238
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide
SMILESCOc1ccccc1N1CCN(C(CNC(=O)C2CCCCC2)c2cccnc2)CC1
InChIInChI=1S/C25H34N4O2/c1-31-24-12-6-5-11-22(24)28-14-16-29(17-15-28)23(21-10-7-13-26-18-21)19-27-25(30)20-8-3-2-4-9-20/h5-7,10-13,18,20,23H,2-4,8-9,14-17,19H2,1H3,(H,27,30)
InChIKeyKYFMZTOOXJOANK-UHFFFAOYSA-N
XLogP3.65
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide (CID 5310238) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide is COc1ccccc1N1CCN(C(CNC(=O)C2CCCCC2)c2cccnc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
The InChIKey is KYFMZTOOXJOANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-31-24-12-6-5-11-22(24)28-14-16-29(17-15-28)23(21-10-7-13-26-18-21)19-27-25(30)20-8-3-2-4-9-20/h5-7,10-13,18,20,23H,2-4,8-9,14-17,19H2,1H3,(H,27,30).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 5310238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).