4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

C26H34N4O — CID 26402975

IUPAC4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(N2CCC(NCCC3=CCCCC3)CC2)cc1
InChIInChI=1S/C26H34N4O/c31-26(29-20-22-7-4-15-27-19-22)23-8-10-25(11-9-23)30-17-13-24(14-18-30)28-16-12-21-5-2-1-3-6-21/h4-5,7-11,15,19,24,28H,1-3,6,12-14,16-18,20H2,(H,29,31)
InChIKeySVQRUOSQARNXQJ-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.46
Rot. Bonds8

About 4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 26402975) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID26402975
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(N2CCC(NCCC3=CCCCC3)CC2)cc1
InChIInChI=1S/C26H34N4O/c31-26(29-20-22-7-4-15-27-19-22)23-8-10-25(11-9-23)30-17-13-24(14-18-30)28-16-12-21-5-2-1-3-6-21/h4-5,7-11,15,19,24,28H,1-3,6,12-14,16-18,20H2,(H,29,31)
InChIKeySVQRUOSQARNXQJ-UHFFFAOYSA-N
XLogP4.46
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42276196
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
4-[4-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42480056
4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42169432
(2S)-1-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 118754298
N-[2-(cyclohexen-1-yl)ethyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109152795
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109132767
[4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 26276510
3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]phenyl]methanone
CID 42432452
N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 124845202
4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26277410
N-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109299486

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 26402975) is 4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(N2CCC(NCCC3=CCCCC3)CC2)cc1.
What is the InChIKey of 4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is SVQRUOSQARNXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c31-26(29-20-22-7-4-15-27-19-22)23-8-10-25(11-9-23)30-17-13-24(14-18-30)28-16-12-21-5-2-1-3-6-21/h4-5,7-11,15,19,24,28H,1-3,6,12-14,16-18,20H2,(H,29,31).
What are the key properties of 4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 418.59 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 26402975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).