N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide

C16H30N2O3 — CID 75383803

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCC1(CC)C(NC(=O)N2CCCC(CO)C2)CC1OC
InChIInChI=1S/C16H30N2O3/c1-4-16(5-2)13(9-14(16)21-3)17-15(20)18-8-6-7-12(10-18)11-19/h12-14,19H,4-11H2,1-3H3,(H,17,20)
InChIKeyJQQGHQSXSQAFIE-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.99
Rot. Bonds5

About N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide

N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 75383803) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID75383803
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCC1(CC)C(NC(=O)N2CCCC(CO)C2)CC1OC
InChIInChI=1S/C16H30N2O3/c1-4-16(5-2)13(9-14(16)21-3)17-15(20)18-8-6-7-12(10-18)11-19/h12-14,19H,4-11H2,1-3H3,(H,17,20)
InChIKeyJQQGHQSXSQAFIE-UHFFFAOYSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 75383803) is N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide is CCC1(CC)C(NC(=O)N2CCCC(CO)C2)CC1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is JQQGHQSXSQAFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-16(5-2)13(9-14(16)21-3)17-15(20)18-8-6-7-12(10-18)11-19/h12-14,19H,4-11H2,1-3H3,(H,17,20).
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75383803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).