N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide

C19H34N2O3 — CID 84600451

IUPACN-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide
SMILESCC1(C)CCC(NC(=O)N2CCC(OCC3CCOC3)CC2)CC1
InChIInChI=1S/C19H34N2O3/c1-19(2)8-3-16(4-9-19)20-18(22)21-10-5-17(6-11-21)24-14-15-7-12-23-13-15/h15-17H,3-14H2,1-2H3,(H,20,22)
InChIKeyFXNWNUVXFSQRMS-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.18
Rot. Bonds4

About N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide

N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide (PubChem CID 84600451) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide
PubChem CID84600451
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC NameN-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide
SMILESCC1(C)CCC(NC(=O)N2CCC(OCC3CCOC3)CC2)CC1
InChIInChI=1S/C19H34N2O3/c1-19(2)8-3-16(4-9-19)20-18(22)21-10-5-17(6-11-21)24-14-15-7-12-23-13-15/h15-17H,3-14H2,1-2H3,(H,20,22)
InChIKeyFXNWNUVXFSQRMS-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide (CID 84600451) is N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide is CC1(C)CCC(NC(=O)N2CCC(OCC3CCOC3)CC2)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide?
The InChIKey is FXNWNUVXFSQRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-19(2)8-3-16(4-9-19)20-18(22)21-10-5-17(6-11-21)24-14-15-7-12-23-13-15/h15-17H,3-14H2,1-2H3,(H,20,22).
What are the key properties of N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide?
N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-4-(oxolan-3-ylmethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 84600451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).