4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide

C26H38N2O4 — CID 25458744

IUPAC4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide
SMILESC=C(C)[C@@H]1CC=C(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)CC1
InChIInChI=1S/C26H38N2O4/c1-19(2)21-7-5-20(6-8-21)18-28-14-11-22(12-15-28)32-25-17-23(31-4)9-10-24(25)26(29)27-13-16-30-3/h5,9-10,17,21-22H,1,6-8,11-16,18H2,2-4H3,(H,27,29)/t21-/m1/s1
InChIKeyAACSUCVUEFINAF-OAQYLSRUSA-N
MW442.60 g/mol
LogP4.22
Rot. Bonds10

About 4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide

4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide (PubChem CID 25458744) has the molecular formula C26H38N2O4 and a molecular weight of 442.60 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide
PubChem CID25458744
Molecular FormulaC26H38N2O4
Molecular Weight442.60 g/mol
Exact Mass442.28
IUPAC Name4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide
SMILESC=C(C)[C@@H]1CC=C(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)CC1
InChIInChI=1S/C26H38N2O4/c1-19(2)21-7-5-20(6-8-21)18-28-14-11-22(12-15-28)32-25-17-23(31-4)9-10-24(25)26(29)27-13-16-30-3/h5,9-10,17,21-22H,1,6-8,11-16,18H2,2-4H3,(H,27,29)/t21-/m1/s1
InChIKeyAACSUCVUEFINAF-OAQYLSRUSA-N
XLogP4.22
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25384356
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25457226
4-methoxy-N-(2-methoxyethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72866282
2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42298282
4-methoxy-N-(2-methoxyethyl)-2-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25458681
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-5-methylhex-5-en-2-yl]piperidin-4-yl]oxybenzamide
CID 25369057
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 26406468
4-methoxy-N-(2-methoxyethyl)-2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide
CID 26404278
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 26316423
2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42403030
2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide
CID 26409216
3-chloro-4-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42190947

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide (CID 25458744) is 4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide is C=C(C)[C@@H]1CC=C(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)CC1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide?
The InChIKey is AACSUCVUEFINAF-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H38N2O4/c1-19(2)21-7-5-20(6-8-21)18-28-14-11-22(12-15-28)32-25-17-23(31-4)9-10-24(25)26(29)27-13-16-30-3/h5,9-10,17,21-22H,1,6-8,11-16,18H2,2-4H3,(H,27,29)/t21-/m1/s1.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide?
4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide has a molecular weight of 442.60 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25458744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).