3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

C25H29N3O3 — CID 42099385

IUPAC3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1
InChIInChI=1S/C25H29N3O3/c29-24(27-18-21-10-4-5-14-26-21)20-9-6-11-23(17-20)31-22-12-15-28(16-13-22)25(30)19-7-2-1-3-8-19/h1-2,4-6,9-11,14,17,19,22H,3,7-8,12-13,15-16,18H2,(H,27,29)/t19-/m1/s1
InChIKeyVGMHYUOAEMIFKT-LJQANCHMSA-N
MW419.53 g/mol
LogP3.74
Rot. Bonds6

About 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 42099385) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID42099385
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1
InChIInChI=1S/C25H29N3O3/c29-24(27-18-21-10-4-5-14-26-21)20-9-6-11-23(17-20)31-22-12-15-28(16-13-22)25(30)19-7-2-1-3-8-19/h1-2,4-6,9-11,14,17,19,22H,3,7-8,12-13,15-16,18H2,(H,27,29)/t19-/m1/s1
InChIKeyVGMHYUOAEMIFKT-LJQANCHMSA-N
XLogP3.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.74
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-(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
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42098917
3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide
CID 75494574
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 45214832
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 25477439
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577
N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
CID 28957115
cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 90559367
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (CID 42099385) is 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1.
What is the InChIKey of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is VGMHYUOAEMIFKT-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-24(27-18-21-10-4-5-14-26-21)20-9-6-11-23(17-20)31-22-12-15-28(16-13-22)25(30)19-7-2-1-3-8-19/h1-2,4-6,9-11,14,17,19,22H,3,7-8,12-13,15-16,18H2,(H,27,29)/t19-/m1/s1.
What are the key properties of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 419.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 42099385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).