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

C26H31N3O3 — CID 42098917

IUPAC3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)CC3=CCCCC3)CC2)c1
InChIInChI=1S/C26H31N3O3/c30-25(17-20-7-2-1-3-8-20)29-15-12-23(13-16-29)32-24-11-6-9-21(18-24)26(31)28-19-22-10-4-5-14-27-22/h4-7,9-11,14,18,23H,1-3,8,12-13,15-17,19H2,(H,28,31)
InChIKeyDPTKJKKNEMHUQW-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.27
Rot. Bonds7

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

3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 42098917) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID42098917
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)CC3=CCCCC3)CC2)c1
InChIInChI=1S/C26H31N3O3/c30-25(17-20-7-2-1-3-8-20)29-15-12-23(13-16-29)32-24-11-6-9-21(18-24)26(31)28-19-22-10-4-5-14-27-22/h4-7,9-11,14,18,23H,1-3,8,12-13,15-17,19H2,(H,28,31)
InChIKeyDPTKJKKNEMHUQW-UHFFFAOYSA-N
XLogP4.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42099385
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 45172439
3-(1-pyrazin-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 72889997
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
2-(cyclohexen-1-yl)-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]ethanone
CID 129007494
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
CID 28957115
N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 122562954
N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide
CID 71809890
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide
CID 75494574

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (CID 42098917) is 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)CC3=CCCCC3)CC2)c1.
What is the InChIKey of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DPTKJKKNEMHUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c30-25(17-20-7-2-1-3-8-20)29-15-12-23(13-16-29)32-24-11-6-9-21(18-24)26(31)28-19-22-10-4-5-14-27-22/h4-7,9-11,14,18,23H,1-3,8,12-13,15-17,19H2,(H,28,31).
What are the key properties of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 433.55 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 42098917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).