4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide

C18H22N4O3 — CID 56883579

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCNC[C@H]1O)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C18H22N4O3/c23-15-10-19-8-7-14(15)9-20-17(24)12-3-1-11(2-4-12)16-21-18(25-22-16)13-5-6-13/h1-4,13-15,19,23H,5-10H2,(H,20,24)/t14-,15+/m0/s1
InChIKeyQGKHHLVGHWMPER-LSDHHAIUSA-N
MW342.40 g/mol
LogP1.31
Rot. Bonds5

About 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide (PubChem CID 56883579) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide
PubChem CID56883579
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCNC[C@H]1O)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C18H22N4O3/c23-15-10-19-8-7-14(15)9-20-17(24)12-3-1-11(2-4-12)16-21-18(25-22-16)13-5-6-13/h1-4,13-15,19,23H,5-10H2,(H,20,24)/t14-,15+/m0/s1
InChIKeyQGKHHLVGHWMPER-LSDHHAIUSA-N
XLogP1.31
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide with MolForge

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Related Compounds

N-butyl-4-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 154660711
N-octyl-4-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 154661041
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120944739
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 56706456
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53032993
methyl 4-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841376
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
N-[[(3S)-piperidin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99776061
N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323993
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 46292695
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 50767461
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide (CID 56883579) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide is O=C(NC[C@@H]1CCNC[C@H]1O)c1ccc(-c2noc(C3CC3)n2)cc1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide?
The InChIKey is QGKHHLVGHWMPER-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-15-10-19-8-7-14(15)9-20-17(24)12-3-1-11(2-4-12)16-21-18(25-22-16)13-5-6-13/h1-4,13-15,19,23H,5-10H2,(H,20,24)/t14-,15+/m0/s1.
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 56883579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).