(5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

C17H29N5O2 — CID 164626929

IUPAC(5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
SMILESCC(C)c1nnc2n1[C@](C)(C(=O)NCCN1CCCCC1)COC2
InChIInChI=1S/C17H29N5O2/c1-13(2)15-20-19-14-11-24-12-17(3,22(14)15)16(23)18-7-10-21-8-5-4-6-9-21/h13H,4-12H2,1-3H3,(H,18,23)/t17-/m0/s1
InChIKeyAVIKOCBPGIFDOX-KRWDZBQOSA-N
MW335.45 g/mol
LogP1.25
Rot. Bonds5

About (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

(5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide (PubChem CID 164626929) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
PubChem CID164626929
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
SMILESCC(C)c1nnc2n1[C@](C)(C(=O)NCCN1CCCCC1)COC2
InChIInChI=1S/C17H29N5O2/c1-13(2)15-20-19-14-11-24-12-17(3,22(14)15)16(23)18-7-10-21-8-5-4-6-9-21/h13H,4-12H2,1-3H3,(H,18,23)/t17-/m0/s1
InChIKeyAVIKOCBPGIFDOX-KRWDZBQOSA-N
XLogP1.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide with MolForge

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Related Compounds

4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 70985347
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CID 64892988
N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63141304
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
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(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 97190344
4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 2941915
5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 70779896
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2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
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4-acetyl-2-methyl-N-(2-piperidin-1-ylethyl)morpholine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide?
The IUPAC name of (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide (CID 164626929) is (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide.
What is the SMILES notation for (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide?
The canonical SMILES for (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide is CC(C)c1nnc2n1[C@](C)(C(=O)NCCN1CCCCC1)COC2.
What is the InChIKey of (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide?
The InChIKey is AVIKOCBPGIFDOX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13(2)15-20-19-14-11-24-12-17(3,22(14)15)16(23)18-7-10-21-8-5-4-6-9-21/h13H,4-12H2,1-3H3,(H,18,23)/t17-/m0/s1.
What are the key properties of (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide?
(5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-(2-piperidin-1-ylethyl)-3-propan-2-yl-6,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide is sourced from PubChem (CID 164626929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).