N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C25H32N4O2 — CID 90519676

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)ncn2)cc1
InChIInChI=1S/C25H32N4O2/c1-31-22-9-7-20(8-10-22)23-17-24(28-18-27-23)29-15-12-21(13-16-29)25(30)26-14-11-19-5-3-2-4-6-19/h5,7-10,17-18,21H,2-4,6,11-16H2,1H3,(H,26,30)
InChIKeyPOSGPOSBKREYHJ-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.38
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90519676) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90519676
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)ncn2)cc1
InChIInChI=1S/C25H32N4O2/c1-31-22-9-7-20(8-10-22)23-17-24(28-18-27-23)29-15-12-21(13-16-29)25(30)26-14-11-19-5-3-2-4-6-19/h5,7-10,17-18,21H,2-4,6,11-16H2,1H3,(H,26,30)
InChIKeyPOSGPOSBKREYHJ-UHFFFAOYSA-N
XLogP4.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 90519423
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691216
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519659
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146370
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 50771431
N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115084
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003181
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]piperidine-4-carboxamide
CID 90519662
N-[2-(cyclohexen-1-yl)ethyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378454
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90519676) is N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is COc1ccc(-c2cc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)ncn2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is POSGPOSBKREYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-31-22-9-7-20(8-10-22)23-17-24(28-18-27-23)29-15-12-21(13-16-29)25(30)26-14-11-19-5-3-2-4-6-19/h5,7-10,17-18,21H,2-4,6,11-16H2,1H3,(H,26,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90519676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).