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

C20H21FN6O2 — CID 99274476

IUPACN-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ncccn2)no1)N[C@H]1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C20H21FN6O2/c21-14-4-1-6-16(12-14)27-11-2-5-15(13-27)24-17(28)7-8-18-25-20(26-29-18)19-22-9-3-10-23-19/h1,3-4,6,9-10,12,15H,2,5,7-8,11,13H2,(H,24,28)/t15-/m0/s1
InChIKeyUMSNYNCEOKDEDV-HNNXBMFYSA-N
MW396.43 g/mol
LogP2.38
Rot. Bonds6

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

N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 99274476) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID99274476
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC NameN-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ncccn2)no1)N[C@H]1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C20H21FN6O2/c21-14-4-1-6-16(12-14)27-11-2-5-15(13-27)24-17(28)7-8-18-25-20(26-29-18)19-22-9-3-10-23-19/h1,3-4,6,9-10,12,15H,2,5,7-8,11,13H2,(H,24,28)/t15-/m0/s1
InChIKeyUMSNYNCEOKDEDV-HNNXBMFYSA-N
XLogP2.38
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide
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N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 99274476) is N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ncccn2)no1)N[C@H]1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is UMSNYNCEOKDEDV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c21-14-4-1-6-16(12-14)27-11-2-5-15(13-27)24-17(28)7-8-18-25-20(26-29-18)19-22-9-3-10-23-19/h1,3-4,6,9-10,12,15H,2,5,7-8,11,13H2,(H,24,28)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 396.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 99274476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).