3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide

C21H27FN4O2 — CID 91841404

IUPAC3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCN1CCC(Cc2noc(C3CC3)n2)CC1)NCc1ccccc1F
InChIInChI=1S/C21H27FN4O2/c22-18-4-2-1-3-17(18)14-23-20(27)9-12-26-10-7-15(8-11-26)13-19-24-21(28-25-19)16-5-6-16/h1-4,15-16H,5-14H2,(H,23,27)
InChIKeyQYFCNDCWLIGLFD-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.05
Rot. Bonds8

About 3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide

3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 91841404) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID91841404
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCN1CCC(Cc2noc(C3CC3)n2)CC1)NCc1ccccc1F
InChIInChI=1S/C21H27FN4O2/c22-18-4-2-1-3-17(18)14-23-20(27)9-12-26-10-7-15(8-11-26)13-19-24-21(28-25-19)16-5-6-16/h1-4,15-16H,5-14H2,(H,23,27)
InChIKeyQYFCNDCWLIGLFD-UHFFFAOYSA-N
XLogP3.05
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109020701
N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91841494
(5R)-1-[(2-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97118378
2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8539276
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552034
3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 56525206
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66032392
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
N-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-2-(3-fluoro-2-pyridinyl)acetamide
CID 154796864
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide (CID 91841404) is 3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide is O=C(CCN1CCC(Cc2noc(C3CC3)n2)CC1)NCc1ccccc1F.
What is the InChIKey of 3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is QYFCNDCWLIGLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c22-18-4-2-1-3-17(18)14-23-20(27)9-12-26-10-7-15(8-11-26)13-19-24-21(28-25-19)16-5-6-16/h1-4,15-16H,5-14H2,(H,23,27).
What are the key properties of 3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide?
3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 386.47 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 91841404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).