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

C15H26N4O2 — CID 97074229

IUPAC(2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCCC[C@H]2CCC(C)C)no1
InChIInChI=1S/C15H26N4O2/c1-11(2)7-8-13-6-4-5-9-19(13)15(20)16-10-14-17-12(3)21-18-14/h11,13H,4-10H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyBFDWWOHRZVMMHB-ZDUSSCGKSA-N
MW294.40 g/mol
LogP2.88
Rot. Bonds5

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

(2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 97074229) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID97074229
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCCC[C@H]2CCC(C)C)no1
InChIInChI=1S/C15H26N4O2/c1-11(2)7-8-13-6-4-5-9-19(13)15(20)16-10-14-17-12(3)21-18-14/h11,13H,4-10H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyBFDWWOHRZVMMHB-ZDUSSCGKSA-N
XLogP2.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(aminomethyl)piperidine-1-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 131898193
(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide
CID 97227008
2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 136534776
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184257
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 106402750
(1S,6S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 97257126
2-(2-methylpropyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-carboxamide
CID 75379218
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213
3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62212389
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620
(3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 125444272
2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62020461

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide (CID 97074229) is (2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide is Cc1nc(CNC(=O)N2CCCC[C@H]2CCC(C)C)no1.
What is the InChIKey of (2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is BFDWWOHRZVMMHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)7-8-13-6-4-5-9-19(13)15(20)16-10-14-17-12(3)21-18-14/h11,13H,4-10H2,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide?
(2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97074229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).