1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide

C18H33N3O3 — CID 71880006

IUPAC1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2(NC(C)=O)CCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-15(22)20-18(8-4-3-5-9-18)17(23)19-14-16-6-10-21(11-7-16)12-13-24-2/h16H,3-14H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyLXVWYKYUXACUCL-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.30
Rot. Bonds7

About 1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide

1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 71880006) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide
PubChem CID71880006
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2(NC(C)=O)CCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-15(22)20-18(8-4-3-5-9-18)17(23)19-14-16-6-10-21(11-7-16)12-13-24-2/h16H,3-14H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyLXVWYKYUXACUCL-UHFFFAOYSA-N
XLogP1.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
N-(2-morpholinoethyl)-4-pentylcyclohexanecarboxamide
CID 3731631
1-(3-Cyclohexyl-ureido)-cyclohexanecarboxylic acid (3-morpholin-4-yl-propyl)-amide
CID 648415
4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
ethyl 4-{[N-(cyclohexylcarbonyl)leucyl]amino}piperidine-1-carboxylate
CID 3244566
ethyl 4-({N-[(4-methylcyclohexyl)carbonyl]leucyl}amino)piperidine-1-carboxylate
CID 9550536
Morpholine-4-carboxylic acid {1-[(cyano-dimethyl-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10893503
3-cyclohexyl-N-(2-morpholin-4-ylethyl)propanamide
CID 1537522
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexanecarboxamide
CID 15991680
4-methyl-N-[4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide
CID 3238919
Proline scaffold, 11
CID 42618109
Proline scaffold, 31
CID 42618128

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide (CID 71880006) is 1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide is COCCN1CCC(CNC(=O)C2(NC(C)=O)CCCCC2)CC1.
What is the InChIKey of 1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is LXVWYKYUXACUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-15(22)20-18(8-4-3-5-9-18)17(23)19-14-16-6-10-21(11-7-16)12-13-24-2/h16H,3-14H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide?
1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 71880006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).