3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide

C24H37N3O5 — CID 25415149

IUPAC3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc(OC)c1OC
InChIInChI=1S/C24H37N3O5/c1-16-7-5-6-8-19(16)26-22(28)15-27-11-9-18(10-12-27)25-24(29)17-13-20(30-2)23(32-4)21(14-17)31-3/h13-14,16,18-19H,5-12,15H2,1-4H3,(H,25,29)(H,26,28)/t16-,19-/m1/s1
InChIKeyBPSKNEBUBBKMJO-VQIMIIECSA-N
MW447.58 g/mol
LogP2.60
Rot. Bonds8

About 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide

3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 25415149) has the molecular formula C24H37N3O5 and a molecular weight of 447.58 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID25415149
Molecular FormulaC24H37N3O5
Molecular Weight447.58 g/mol
Exact Mass447.27
IUPAC Name3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc(OC)c1OC
InChIInChI=1S/C24H37N3O5/c1-16-7-5-6-8-19(16)26-22(28)15-27-11-9-18(10-12-27)25-24(29)17-13-20(30-2)23(32-4)21(14-17)31-3/h13-14,16,18-19H,5-12,15H2,1-4H3,(H,25,29)(H,26,28)/t16-,19-/m1/s1
InChIKeyBPSKNEBUBBKMJO-VQIMIIECSA-N
XLogP2.60
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 3220749
5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447313
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
1-[(1S,2R)-2-methylcyclohexyl]-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
CID 8624992
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78808028
2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7411802
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 25415149) is 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide is COc1cc(C(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is BPSKNEBUBBKMJO-VQIMIIECSA-N. The full InChI is InChI=1S/C24H37N3O5/c1-16-7-5-6-8-19(16)26-22(28)15-27-11-9-18(10-12-27)25-24(29)17-13-20(30-2)23(32-4)21(14-17)31-3/h13-14,16,18-19H,5-12,15H2,1-4H3,(H,25,29)(H,26,28)/t16-,19-/m1/s1.
What are the key properties of 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?
3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 447.58 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 25415149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).