(2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C14H23N3O3 — CID 97069590

IUPAC(2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCC[C@@](C)(CO)C2)on1
InChIInChI=1S/C14H23N3O3/c1-10-7-12(20-16-10)15-13(19)11(2)17-6-4-5-14(3,8-17)9-18/h7,11,18H,4-6,8-9H2,1-3H3,(H,15,19)/t11-,14+/m0/s1
InChIKeyDYMGXCKDIBOYJS-SMDDNHRTSA-N
MW281.36 g/mol
LogP1.40
Rot. Bonds4

About (2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 97069590) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID97069590
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCC[C@@](C)(CO)C2)on1
InChIInChI=1S/C14H23N3O3/c1-10-7-12(20-16-10)15-13(19)11(2)17-6-4-5-14(3,8-17)9-18/h7,11,18H,4-6,8-9H2,1-3H3,(H,15,19)/t11-,14+/m0/s1
InChIKeyDYMGXCKDIBOYJS-SMDDNHRTSA-N
XLogP1.40
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]propanamide
CID 95568099
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 86916273
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 110019829
(2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 100837496
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 134045166
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 120771771
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 65486610
(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 100842044
(2R)-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 95148704
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 96522187
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 97069590) is (2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@H](C)N2CCC[C@@](C)(CO)C2)on1.
What is the InChIKey of (2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is DYMGXCKDIBOYJS-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-7-12(20-16-10)15-13(19)11(2)17-6-4-5-14(3,8-17)9-18/h7,11,18H,4-6,8-9H2,1-3H3,(H,15,19)/t11-,14+/m0/s1.
What are the key properties of (2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 281.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 97069590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).