(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide

C18H29N3O3 — CID 97206248

IUPAC(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@H]1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H29N3O3/c1-13-17(14(2)24-19-13)12-20(3)18(22)15-5-4-8-21(11-15)16-6-9-23-10-7-16/h15-16H,4-12H2,1-3H3/t15-/m0/s1
InChIKeyJUIDMCGGIOLCOZ-HNNXBMFYSA-N
MW335.45 g/mol
LogP2.14
Rot. Bonds4

About (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide

(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 97206248) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID97206248
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@H]1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H29N3O3/c1-13-17(14(2)24-19-13)12-20(3)18(22)15-5-4-8-21(11-15)16-6-9-23-10-7-16/h15-16H,4-12H2,1-3H3/t15-/m0/s1
InChIKeyJUIDMCGGIOLCOZ-HNNXBMFYSA-N
XLogP2.14
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 125176171
(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97191126
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55621859
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide
CID 94649268
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56874680
(3R)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95554371
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94442857
(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 94665811
[(3R)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95559782
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 56876106
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93379121
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000213

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide (CID 97206248) is (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide is Cc1noc(C)c1CN(C)C(=O)[C@H]1CCCN(C2CCOCC2)C1.
What is the InChIKey of (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is JUIDMCGGIOLCOZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13-17(14(2)24-19-13)12-20(3)18(22)15-5-4-8-21(11-15)16-6-9-23-10-7-16/h15-16H,4-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide?
(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97206248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).