N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C15H28N2O3 — CID 99834195

IUPACN-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCOC1CC(CCNC(=O)N2CCC(CO)CC2)C1
InChIInChI=1S/C15H28N2O3/c1-2-20-14-9-13(10-14)3-6-16-15(19)17-7-4-12(11-18)5-8-17/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyBDUDWOPWGRNZET-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.61
Rot. Bonds6

About N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 99834195) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID99834195
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCOC1CC(CCNC(=O)N2CCC(CO)CC2)C1
InChIInChI=1S/C15H28N2O3/c1-2-20-14-9-13(10-14)3-6-16-15(19)17-7-4-12(11-18)5-8-17/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyBDUDWOPWGRNZET-UHFFFAOYSA-N
XLogP1.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 99834195) is N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide is CCOC1CC(CCNC(=O)N2CCC(CO)CC2)C1.
What is the InChIKey of N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is BDUDWOPWGRNZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-20-14-9-13(10-14)3-6-16-15(19)17-7-4-12(11-18)5-8-17/h12-14,18H,2-11H2,1H3,(H,16,19).
What are the key properties of N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 99834195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).