(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide

C12H20N4O2 — CID 97193337

IUPAC(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCCc1noc([C@H]2CCCN(C(=O)N(C)C)C2)n1
InChIInChI=1S/C12H20N4O2/c1-4-10-13-11(18-14-10)9-6-5-7-16(8-9)12(17)15(2)3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyYHKKXZURUOGJME-VIFPVBQESA-N
MW252.32 g/mol
LogP1.49
Rot. Bonds2

About (3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide

(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 97193337) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID97193337
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCCc1noc([C@H]2CCCN(C(=O)N(C)C)C2)n1
InChIInChI=1S/C12H20N4O2/c1-4-10-13-11(18-14-10)9-6-5-7-16(8-9)12(17)15(2)3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyYHKKXZURUOGJME-VIFPVBQESA-N
XLogP1.49
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97193869
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 56728060
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 56728046
2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120867629
(1R,6S)-6-[(3R)-3-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 124871162
1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
CID 156605046
2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 136539097
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(2S)-N-cyclopropyl-2-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propanamide
CID 95308501
tert-butyl 3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 75481436
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 56728197

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide (CID 97193337) is (3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide is CCc1noc([C@H]2CCCN(C(=O)N(C)C)C2)n1.
What is the InChIKey of (3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is YHKKXZURUOGJME-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-10-13-11(18-14-10)9-6-5-7-16(8-9)12(17)15(2)3/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide?
(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 97193337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).