(3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide

C9H14N4O2 — CID 106396842

IUPAC(3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ncon1)[C@H]1CCCNC1
InChIInChI=1S/C9H14N4O2/c14-9(7-2-1-3-10-4-7)11-5-8-12-6-15-13-8/h6-7,10H,1-5H2,(H,11,14)/t7-/m0/s1
InChIKeyVDJWRFHLPJSDSF-ZETCQYMHSA-N
MW210.24 g/mol
LogP-0.31
Rot. Bonds3

About (3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide

(3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 106396842) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide
PubChem CID106396842
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ncon1)[C@H]1CCCNC1
InChIInChI=1S/C9H14N4O2/c14-9(7-2-1-3-10-4-7)11-5-8-12-6-15-13-8/h6-7,10H,1-5H2,(H,11,14)/t7-/m0/s1
InChIKeyVDJWRFHLPJSDSF-ZETCQYMHSA-N
XLogP-0.31
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-2-piperidin-3-ylacetamide
CID 106397177
N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 83631129
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 106394645
(3R)-N-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 106417230
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide
CID 61000515
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-(1,2,4-oxadiazol-3-ylmethyl)morpholine-3-carboxamide
CID 106397009
(3S)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 97315326

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide (CID 106396842) is (3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ncon1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is VDJWRFHLPJSDSF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-9(7-2-1-3-10-4-7)11-5-8-12-6-15-13-8/h6-7,10H,1-5H2,(H,11,14)/t7-/m0/s1.
What are the key properties of (3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide?
(3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 106396842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).