(3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide

C14H22N4O3 — CID 92631993

IUPAC(3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@]1(C)CCCN(C(=O)CCc2nc(C)no2)C1
InChIInChI=1S/C14H22N4O3/c1-10-16-11(21-17-10)5-6-12(19)18-8-4-7-14(2,9-18)13(20)15-3/h4-9H2,1-3H3,(H,15,20)/t14-/m1/s1
InChIKeyABZQXYDWOHGLCU-CQSZACIVSA-N
MW294.35 g/mol
LogP0.69
Rot. Bonds4

About (3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide

(3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 92631993) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide
PubChem CID92631993
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name(3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@]1(C)CCCN(C(=O)CCc2nc(C)no2)C1
InChIInChI=1S/C14H22N4O3/c1-10-16-11(21-17-10)5-6-12(19)18-8-4-7-14(2,9-18)13(20)15-3/h4-9H2,1-3H3,(H,15,20)/t14-/m1/s1
InChIKeyABZQXYDWOHGLCU-CQSZACIVSA-N
XLogP0.69
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420605
2-hydroxy-1-[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95841858
1-(4-acetyl-1,4-diazepan-1-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 71895509
methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate
CID 43431164
3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 103822021
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-5-one
CID 62046417
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 113268925
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119310003
(3R)-1-[3-(4-methoxyphenyl)propanoyl]-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087535
(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide
CID 92632488
(2R)-N,2-dimethyl-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]morpholine-2-carboxamide
CID 124971497

Frequently Asked Questions

What is the IUPAC name of (3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide (CID 92631993) is (3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide is CNC(=O)[C@]1(C)CCCN(C(=O)CCc2nc(C)no2)C1.
What is the InChIKey of (3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is ABZQXYDWOHGLCU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-16-11(21-17-10)5-6-12(19)18-8-4-7-14(2,9-18)13(20)15-3/h4-9H2,1-3H3,(H,15,20)/t14-/m1/s1.
What are the key properties of (3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide?
(3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,3-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92631993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).