3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride

C10H19ClN2O2 — CID 142434450

IUPAC3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NC2CCOCC2)CNC1.Cl
InChIInChI=1S/C10H18N2O2.ClH/c1-10(6-11-7-10)9(13)12-8-2-4-14-5-3-8;/h8,11H,2-7H2,1H3,(H,12,13);1H
InChIKeyITPJDCJOEMYYRO-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.31
Rot. Bonds2

About 3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride

3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride (PubChem CID 142434450) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride
PubChem CID142434450
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NC2CCOCC2)CNC1.Cl
InChIInChI=1S/C10H18N2O2.ClH/c1-10(6-11-7-10)9(13)12-8-2-4-14-5-3-8;/h8,11H,2-7H2,1H3,(H,12,13);1H
InChIKeyITPJDCJOEMYYRO-UHFFFAOYSA-N
XLogP0.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240
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N-cyclohexyl-3-methylpiperidine-3-carboxamide
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N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
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3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide
CID 115738917
2-[3-(oxan-4-ylamino)azetidin-3-yl]acetic acid
CID 107142370
N-(oxan-4-yl)piperidine-4-carboxamide;hydrochloride
CID 172899475
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
1-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
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N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
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CID 63139219

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride (CID 142434450) is 3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride is CC1(C(=O)NC2CCOCC2)CNC1.Cl.
What is the InChIKey of 3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride?
The InChIKey is ITPJDCJOEMYYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.ClH/c1-10(6-11-7-10)9(13)12-8-2-4-14-5-3-8;/h8,11H,2-7H2,1H3,(H,12,13);1H.
What are the key properties of 3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride?
3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride has a molecular weight of 234.73 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-4-yl)azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 142434450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).