1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide

C13H20N4O2 — CID 94189858

IUPAC1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H20N4O2/c1-8(13-15-12(16-19-13)10-2-3-10)17-6-4-9(5-7-17)11(14)18/h8-10H,2-7H2,1H3,(H2,14,18)/t8-/m0/s1
InChIKeyVNISOVLZOAIQPD-QMMMGPOBSA-N
MW264.33 g/mol
LogP1.21
Rot. Bonds4

About 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide

1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 94189858) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID94189858
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H20N4O2/c1-8(13-15-12(16-19-13)10-2-3-10)17-6-4-9(5-7-17)11(14)18/h8-10H,2-7H2,1H3,(H2,14,18)/t8-/m0/s1
InChIKeyVNISOVLZOAIQPD-QMMMGPOBSA-N
XLogP1.21
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 60500680
5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 51086696
[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94032209
4-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 47053030
4-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 94381252
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 47053061
(3R,5R)-3-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-5-methyloxolan-2-one
CID 95281872
1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 52509003
3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278685

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide (CID 94189858) is 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide is C[C@@H](c1nc(C2CC2)no1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is VNISOVLZOAIQPD-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(13-15-12(16-19-13)10-2-3-10)17-6-4-9(5-7-17)11(14)18/h8-10H,2-7H2,1H3,(H2,14,18)/t8-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 94189858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).