(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide

C18H24N4O3 — CID 124628067

IUPAC(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(C)c1NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1
InChIInChI=1S/C18H24N4O3/c1-12-6-4-8-15(24-3)17(12)20-18(23)22-9-5-7-14(11-22)10-16-19-13(2)25-21-16/h4,6,8,14H,5,7,9-11H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeySMVCDXNMWNMHJJ-AWEZNQCLSA-N
MW344.42 g/mol
LogP3.18
Rot. Bonds4

About (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide

(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 124628067) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID124628067
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(C)c1NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1
InChIInChI=1S/C18H24N4O3/c1-12-6-4-8-15(24-3)17(12)20-18(23)22-9-5-7-14(11-22)10-16-19-13(2)25-21-16/h4,6,8,14H,5,7,9-11H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeySMVCDXNMWNMHJJ-AWEZNQCLSA-N
XLogP3.18
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
CID 154765435
(3R)-N-(5-fluoro-2-pyridinyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 99597501
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 97074173
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 136523571
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide
CID 122130973
(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 124737577
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1-pyridin-4-ylpropyl)piperidine-1-carboxamide
CID 136529525
2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591759
2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61203294
N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 90642051
2-methyl-3-(methylamino)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119775640

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide (CID 124628067) is (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide is COc1cccc(C)c1NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1.
What is the InChIKey of (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is SMVCDXNMWNMHJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-6-4-8-15(24-3)17(12)20-18(23)22-9-5-7-14(11-22)10-16-19-13(2)25-21-16/h4,6,8,14H,5,7,9-11H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide?
(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 124628067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).