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

C25H34N4O2 — CID 3240844

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide
SMILESCOc1ccc(N2CCN(C(CNC(=O)C3CCCCC3)c3cccnc3)CC2)cc1
InChIInChI=1S/C25H34N4O2/c1-31-23-11-9-22(10-12-23)28-14-16-29(17-15-28)24(21-8-5-13-26-18-21)19-27-25(30)20-6-3-2-4-7-20/h5,8-13,18,20,24H,2-4,6-7,14-17,19H2,1H3,(H,27,30)
InChIKeyOHRLLFQLPPBPMG-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.65
Rot. Bonds7

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

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide (PubChem CID 3240844) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide
PubChem CID3240844
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide
SMILESCOc1ccc(N2CCN(C(CNC(=O)C3CCCCC3)c3cccnc3)CC2)cc1
InChIInChI=1S/C25H34N4O2/c1-31-23-11-9-22(10-12-23)28-14-16-29(17-15-28)24(21-8-5-13-26-18-21)19-27-25(30)20-6-3-2-4-7-20/h5,8-13,18,20,24H,2-4,6-7,14-17,19H2,1H3,(H,27,30)
InChIKeyOHRLLFQLPPBPMG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N'-[(2R)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 40773843
N'-(4-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517357
N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 40773845
2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 27443394
3-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 3240145
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 7163043
2-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]propanamide
CID 3503405
N'-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 92766710
N'-(2-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517370
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40773943
N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 92680834

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide (CID 3240844) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide is COc1ccc(N2CCN(C(CNC(=O)C3CCCCC3)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
The InChIKey is OHRLLFQLPPBPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-31-23-11-9-22(10-12-23)28-14-16-29(17-15-28)24(21-8-5-13-26-18-21)19-27-25(30)20-6-3-2-4-7-20/h5,8-13,18,20,24H,2-4,6-7,14-17,19H2,1H3,(H,27,30).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide?
N-[2-[4-(4-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-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 3240844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).