(3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

C19H29N7O3 — CID 97077379

IUPAC(3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@H](C(=O)N[C@H](c2nc(-c3ncn[nH]3)no2)C(C)(C)C)C1
InChIInChI=1S/C19H29N7O3/c1-11(2)18(28)26-8-6-7-12(9-26)16(27)22-13(19(3,4)5)17-23-15(25-29-17)14-20-10-21-24-14/h10-13H,6-9H2,1-5H3,(H,22,27)(H,20,21,24)/t12-,13+/m0/s1
InChIKeyZOZNLMIWDDRLMV-QWHCGFSZSA-N
MW403.49 g/mol
LogP1.95
Rot. Bonds5

About (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

(3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 97077379) has the molecular formula C19H29N7O3 and a molecular weight of 403.49 g/mol. Its IUPAC name is (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID97077379
Molecular FormulaC19H29N7O3
Molecular Weight403.49 g/mol
Exact Mass403.23
IUPAC Name(3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@H](C(=O)N[C@H](c2nc(-c3ncn[nH]3)no2)C(C)(C)C)C1
InChIInChI=1S/C19H29N7O3/c1-11(2)18(28)26-8-6-7-12(9-26)16(27)22-13(19(3,4)5)17-23-15(25-29-17)14-20-10-21-24-14/h10-13H,6-9H2,1-5H3,(H,22,27)(H,20,21,24)/t12-,13+/m0/s1
InChIKeyZOZNLMIWDDRLMV-QWHCGFSZSA-N
XLogP1.95
TPSA129.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine
CID 75516917
tert-butyl 4-[[[(1R)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]amino]methyl]piperidine-1-carboxylate
CID 97326197
(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 94091157
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]urea
CID 154864202
N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 97070699
N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 166179775
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43427722
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide
CID 103716542
1-[(1R)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-prop-2-enylurea
CID 97239707
3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63346716
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 97077379) is (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is CC(C)C(=O)N1CCC[C@H](C(=O)N[C@H](c2nc(-c3ncn[nH]3)no2)C(C)(C)C)C1.
What is the InChIKey of (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is ZOZNLMIWDDRLMV-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H29N7O3/c1-11(2)18(28)26-8-6-7-12(9-26)16(27)22-13(19(3,4)5)17-23-15(25-29-17)14-20-10-21-24-14/h10-13H,6-9H2,1-5H3,(H,22,27)(H,20,21,24)/t12-,13+/m0/s1.
What are the key properties of (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
(3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 97077379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).