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

C19H25N5O4 — CID 97436643

IUPAC(3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
SMILESCOCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@H](c3noc(C)n3)C2)c1
InChIInChI=1S/C19H25N5O4/c1-12-6-7-15(21-17(25)11-27-3)9-16(12)22-19(26)24-8-4-5-14(10-24)18-20-13(2)28-23-18/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,21,25)(H,22,26)/t14-/m0/s1
InChIKeyHQECSOIUMPNHTP-AWEZNQCLSA-N
MW387.44 g/mol
LogP2.68
Rot. Bonds5

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

(3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide (PubChem CID 97436643) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
PubChem CID97436643
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name(3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
SMILESCOCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@H](c3noc(C)n3)C2)c1
InChIInChI=1S/C19H25N5O4/c1-12-6-7-15(21-17(25)11-27-3)9-16(12)22-19(26)24-8-4-5-14(10-24)18-20-13(2)28-23-18/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,21,25)(H,22,26)/t14-/m0/s1
InChIKeyHQECSOIUMPNHTP-AWEZNQCLSA-N
XLogP2.68
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 118794893
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide
CID 125176898
(3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide
CID 125176902
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 72923845
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 95734457
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 136562477
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
CID 72854229
2-methoxy-N-[2-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]phenyl]propanamide
CID 172661191
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
CID 95734342
2-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 95821372
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 146138655

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide (CID 97436643) is (3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide is COCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@H](c3noc(C)n3)C2)c1.
What is the InChIKey of (3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
The InChIKey is HQECSOIUMPNHTP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-12-6-7-15(21-17(25)11-27-3)9-16(12)22-19(26)24-8-4-5-14(10-24)18-20-13(2)28-23-18/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,21,25)(H,22,26)/t14-/m0/s1.
What are the key properties of (3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
(3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97436643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).