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

C13H21N3O2 — CID 90537576

IUPAC1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(CCNC(=O)C2CCCN(C)C2)on1
InChIInChI=1S/C13H21N3O2/c1-10-8-12(18-15-10)5-6-14-13(17)11-4-3-7-16(2)9-11/h8,11H,3-7,9H2,1-2H3,(H,14,17)
InChIKeyJXDKHZULEQSEMO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.98
Rot. Bonds4

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

1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 90537576) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID90537576
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(CCNC(=O)C2CCCN(C)C2)on1
InChIInChI=1S/C13H21N3O2/c1-10-8-12(18-15-10)5-6-14-13(17)11-4-3-7-16(2)9-11/h8,11H,3-7,9H2,1-2H3,(H,14,17)
InChIKeyJXDKHZULEQSEMO-UHFFFAOYSA-N
XLogP0.98
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123826
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 48731280
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
CID 91766973
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970113
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 96557410
1-(1-benzylpiperidin-4-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 56861008
N-[2-[7-[(2,5-dimethylphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-1-methylpiperidine-3-carboxamide
CID 45224450
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537585

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide (CID 90537576) is 1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide is Cc1cc(CCNC(=O)C2CCCN(C)C2)on1.
What is the InChIKey of 1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is JXDKHZULEQSEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-12(18-15-10)5-6-14-13(17)11-4-3-7-16(2)9-11/h8,11H,3-7,9H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide?
1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 90537576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).