N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide

C19H25FN4O2 — CID 26409813

IUPACN-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)C[C@H]1CCCN(CCc2ccccc2F)C1
InChIInChI=1S/C19H25FN4O2/c1-14-18(22-26-21-14)19(25)23(2)12-15-6-5-10-24(13-15)11-9-16-7-3-4-8-17(16)20/h3-4,7-8,15H,5-6,9-13H2,1-2H3/t15-/m1/s1
InChIKeyBZBKSDVHWNASST-OAHLLOKOSA-N
MW360.43 g/mol
LogP2.54
Rot. Bonds6

About N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide

N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 26409813) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID26409813
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)C[C@H]1CCCN(CCc2ccccc2F)C1
InChIInChI=1S/C19H25FN4O2/c1-14-18(22-26-21-14)19(25)23(2)12-15-6-5-10-24(13-15)11-9-16-7-3-4-8-17(16)20/h3-4,7-8,15H,5-6,9-13H2,1-2H3/t15-/m1/s1
InChIKeyBZBKSDVHWNASST-OAHLLOKOSA-N
XLogP2.54
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24816744
(4-Methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 24791309
[3-[4-(4-Fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 24791068
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 16189060
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466410
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16673635
4-{[4-(3-Fluorobenzoyl)piperazin-1-yl]carbonyl}-1,2,5-oxadiazol-3-amine
CID 20895388
N-(2-(2,4-difluorophenyl)-1-{1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-4-piperidinyl}ethyl)-N-methylpropanamide
CID 45182543
7-(3,4-Difluorobenzyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 45198042
6-[(2'-fluoro-3-biphenylyl)carbonyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide
CID 45212602
4-fluoro-N-({1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-piperidinyl}methyl)benzamide
CID 45226099
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 45233671

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide (CID 26409813) is N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N(C)C[C@H]1CCCN(CCc2ccccc2F)C1.
What is the InChIKey of N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is BZBKSDVHWNASST-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-14-18(22-26-21-14)19(25)23(2)12-15-6-5-10-24(13-15)11-9-16-7-3-4-8-17(16)20/h3-4,7-8,15H,5-6,9-13H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 26409813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).