N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C14H23N3O3 — CID 111174169

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H23N3O3/c1-9(13-10(2)16-20-11(13)3)15-14(19)17-6-4-5-12(7-17)8-18/h9,12,18H,4-8H2,1-3H3,(H,15,19)
InChIKeyLAUMDBVQBLUIPE-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.77
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111174169) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111174169
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H23N3O3/c1-9(13-10(2)16-20-11(13)3)15-14(19)17-6-4-5-12(7-17)8-18/h9,12,18H,4-8H2,1-3H3,(H,15,19)
InChIKeyLAUMDBVQBLUIPE-UHFFFAOYSA-N
XLogP1.77
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81118238
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 43403556
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 111439039
2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide
CID 79234327
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631027
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 111174169) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is Cc1noc(C)c1C(C)NC(=O)N1CCCC(CO)C1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is LAUMDBVQBLUIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(13-10(2)16-20-11(13)3)15-14(19)17-6-4-5-12(7-17)8-18/h9,12,18H,4-8H2,1-3H3,(H,15,19).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111174169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).