2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C23H36N4O3 — CID 7411802

IUPAC2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCCOc1ccc(NC(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1
InChIInChI=1S/C23H36N4O3/c1-3-30-20-10-8-18(9-11-20)24-23(29)25-19-12-14-27(15-13-19)16-22(28)26-21-7-5-4-6-17(21)2/h8-11,17,19,21H,3-7,12-16H2,1-2H3,(H,26,28)(H2,24,25,29)/t17-,21-/m1/s1
InChIKeyXAKRQMQQJBGDEX-DYESRHJHSA-N
MW416.57 g/mol
LogP3.37
Rot. Bonds7

About 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 7411802) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID7411802
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCCOc1ccc(NC(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1
InChIInChI=1S/C23H36N4O3/c1-3-30-20-10-8-18(9-11-20)24-23(29)25-19-12-14-27(15-13-19)16-22(28)26-21-7-5-4-6-17(21)2/h8-11,17,19,21H,3-7,12-16H2,1-2H3,(H,26,28)(H2,24,25,29)/t17-,21-/m1/s1
InChIKeyXAKRQMQQJBGDEX-DYESRHJHSA-N
XLogP3.37
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 7941815
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8719210
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8614526
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447313
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
N-(4-chlorophenyl)-4-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperazine-1-carboxamide
CID 75375800
2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7203614

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 7411802) is 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is CCOc1ccc(NC(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is XAKRQMQQJBGDEX-DYESRHJHSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-3-30-20-10-8-18(9-11-20)24-23(29)25-19-12-14-27(15-13-19)16-22(28)26-21-7-5-4-6-17(21)2/h8-11,17,19,21H,3-7,12-16H2,1-2H3,(H,26,28)(H2,24,25,29)/t17-,21-/m1/s1.
What are the key properties of 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 416.57 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7411802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).