N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide

C16H30N2O3 — CID 119821940

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide
SMILESCCC1(CC)C(NC(=O)C2(OC)CCNCC2)CC1OC
InChIInChI=1S/C16H30N2O3/c1-5-15(6-2)12(11-13(15)20-3)18-14(19)16(21-4)7-9-17-10-8-16/h12-13,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyIXANFFKRLNSTEH-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.46
Rot. Bonds6

About N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide

N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide (PubChem CID 119821940) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide
PubChem CID119821940
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide
SMILESCCC1(CC)C(NC(=O)C2(OC)CCNCC2)CC1OC
InChIInChI=1S/C16H30N2O3/c1-5-15(6-2)12(11-13(15)20-3)18-14(19)16(21-4)7-9-17-10-8-16/h12-13,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyIXANFFKRLNSTEH-UHFFFAOYSA-N
XLogP1.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide (CID 119821940) is N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide is CCC1(CC)C(NC(=O)C2(OC)CCNCC2)CC1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is IXANFFKRLNSTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-15(6-2)12(11-13(15)20-3)18-14(19)16(21-4)7-9-17-10-8-16/h12-13,17H,5-11H2,1-4H3,(H,18,19).
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide?
N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119821940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).