2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide

C17H26N4O3 — CID 95780078

IUPAC2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCC[C@H](c2noc(C3CC3)n2)C1)NC1CCOCC1
InChIInChI=1S/C17H26N4O3/c22-15(18-14-5-8-23-9-6-14)11-21-7-1-2-13(10-21)16-19-17(24-20-16)12-3-4-12/h12-14H,1-11H2,(H,18,22)/t13-/m0/s1
InChIKeyMRKCYBLWRJJGGL-ZDUSSCGKSA-N
MW334.42 g/mol
LogP1.42
Rot. Bonds5

About 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide

2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 95780078) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID95780078
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCC[C@H](c2noc(C3CC3)n2)C1)NC1CCOCC1
InChIInChI=1S/C17H26N4O3/c22-15(18-14-5-8-23-9-6-14)11-21-7-1-2-13(10-21)16-19-17(24-20-16)12-3-4-12/h12-14H,1-11H2,(H,18,22)/t13-/m0/s1
InChIKeyMRKCYBLWRJJGGL-ZDUSSCGKSA-N
XLogP1.42
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide with MolForge

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63097682
2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 100837584
2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride
CID 119920439
(2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide
CID 95780048
N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241627
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120852446
2-cyclopropyl-5-[[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95780156
3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 96512003
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetic acid
CID 56766304
2-(3-aminoazetidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63760722
2-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 95821372

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide (CID 95780078) is 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide is O=C(CN1CCC[C@H](c2noc(C3CC3)n2)C1)NC1CCOCC1.
What is the InChIKey of 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is MRKCYBLWRJJGGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-15(18-14-5-8-23-9-6-14)11-21-7-1-2-13(10-21)16-19-17(24-20-16)12-3-4-12/h12-14H,1-11H2,(H,18,22)/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide?
2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 95780078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).