N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one

C55H110N6O6 — CID 159563350

IUPACN-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one
SMILESCC(C)C(=O)NC1CCCCC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)NC1CCCCC1.CC(C)OC1CCCCC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCNC(=O)C1
InChIInChI=1S/C10H20N2O.C10H19NO.C9H19NO.C9H19N.C9H18O.C8H15NO2/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-8(2)10(12)11-9-6-4-3-5-7-9;1-8(2)11-9-4-6-10(3)7-5-9;2*1-8(2)10-9-6-4-3-5-7-9;1-6(2)11-7-3-4-9-8(10)5-7/h8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);8-9H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyMGWZZLBJOAQXQQ-UHFFFAOYSA-N
MW951.52 g/mol
LogP10.20
Rot. Bonds12

About N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one

N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one (PubChem CID 159563350) has the molecular formula C55H110N6O6 and a molecular weight of 951.52 g/mol. Its IUPAC name is N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one.

Molecular Properties

Compound NameN-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one
PubChem CID159563350
Molecular FormulaC55H110N6O6
Molecular Weight951.52 g/mol
Exact Mass950.85
IUPAC NameN-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one
SMILESCC(C)C(=O)NC1CCCCC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)NC1CCCCC1.CC(C)OC1CCCCC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCNC(=O)C1
InChIInChI=1S/C10H20N2O.C10H19NO.C9H19NO.C9H19N.C9H18O.C8H15NO2/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-8(2)10(12)11-9-6-4-3-5-7-9;1-8(2)11-9-4-6-10(3)7-5-9;2*1-8(2)10-9-6-4-3-5-7-9;1-6(2)11-7-3-4-9-8(10)5-7/h8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);8-9H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyMGWZZLBJOAQXQQ-UHFFFAOYSA-N
XLogP10.20
TPSA133.50 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.52
LogP ≤ 510.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one?
The IUPAC name of N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one (CID 159563350) is N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one.
What is the SMILES notation for N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one?
The canonical SMILES for N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one is CC(C)C(=O)NC1CCCCC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)NC1CCCCC1.CC(C)OC1CCCCC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCNC(=O)C1.
What is the InChIKey of N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one?
The InChIKey is MGWZZLBJOAQXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C10H19NO.C9H19NO.C9H19N.C9H18O.C8H15NO2/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-8(2)10(12)11-9-6-4-3-5-7-9;1-8(2)11-9-4-6-10(3)7-5-9;2*1-8(2)10-9-6-4-3-5-7-9;1-6(2)11-7-3-4-9-8(10)5-7/h8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);8-9H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one?
N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one has a molecular weight of 951.52 g/mol, XLogP of 10.20, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-propan-2-yloxypiperidine;N-propan-2-ylcyclohexanamine;propan-2-yloxycyclohexane;4-propan-2-yloxypiperidin-2-one is sourced from PubChem (CID 159563350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).