3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide

C14H26N2O3 — CID 110024481

IUPAC3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide
SMILESCOC1(CNC(=O)N2CCCC(C)(CO)C2)CCC1
InChIInChI=1S/C14H26N2O3/c1-13(11-17)5-4-8-16(10-13)12(18)15-9-14(19-2)6-3-7-14/h17H,3-11H2,1-2H3,(H,15,18)
InChIKeyIISBBXJIDQMUBS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.36
Rot. Bonds4

About 3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide

3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide (PubChem CID 110024481) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide
PubChem CID110024481
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide
SMILESCOC1(CNC(=O)N2CCCC(C)(CO)C2)CCC1
InChIInChI=1S/C14H26N2O3/c1-13(11-17)5-4-8-16(10-13)12(18)15-9-14(19-2)6-3-7-14/h17H,3-11H2,1-2H3,(H,15,18)
InChIKeyIISBBXJIDQMUBS-UHFFFAOYSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
N-[(1-methylcyclobutyl)methyl]piperidine-1-carboxamide
CID 103736206
1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107394038
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455
cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone
CID 145231630
(3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 99623012
N-ethyl-3,3-dimethylpiperidine-1-carboxamide
CID 115624358
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841554
2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 107393953
methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate
CID 170710981
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 107393924

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide (CID 110024481) is 3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide is COC1(CNC(=O)N2CCCC(C)(CO)C2)CCC1.
What is the InChIKey of 3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is IISBBXJIDQMUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(11-17)5-4-8-16(10-13)12(18)15-9-14(19-2)6-3-7-14/h17H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide?
3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 110024481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).