N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide

C16H30N2O3 — CID 75523134

IUPACN-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-4-18(13(2)3)16(19)17-9-5-14(6-10-17)21-15-7-11-20-12-8-15/h13-15H,4-12H2,1-3H3
InChIKeyBSSMFLBWQNZLGA-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.50
Rot. Bonds4

About N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide

N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 75523134) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID75523134
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-4-18(13(2)3)16(19)17-9-5-14(6-10-17)21-15-7-11-20-12-8-15/h13-15H,4-12H2,1-3H3
InChIKeyBSSMFLBWQNZLGA-UHFFFAOYSA-N
XLogP2.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide (CID 75523134) is N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide is CCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C.
What is the InChIKey of N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is BSSMFLBWQNZLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-18(13(2)3)16(19)17-9-5-14(6-10-17)21-15-7-11-20-12-8-15/h13-15H,4-12H2,1-3H3.
What are the key properties of N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide?
N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxan-4-yloxy)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 75523134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).