(2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C18H29N5O2 — CID 99852891

IUPAC(2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C18H29N5O2/c24-18(23-8-4-2-6-17(23)14-9-20-21-10-14)19-11-16-12-22-7-3-1-5-15(22)13-25-16/h9-10,15-17H,1-8,11-13H2,(H,19,24)(H,20,21)/t15-,16-,17-/m1/s1
InChIKeyHVWVJSBYQIUUIB-BRWVUGGUSA-N
MW347.46 g/mol
LogP1.90
Rot. Bonds3

About (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 99852891) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID99852891
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C18H29N5O2/c24-18(23-8-4-2-6-17(23)14-9-20-21-10-14)19-11-16-12-22-7-3-1-5-15(22)13-25-16/h9-10,15-17H,1-8,11-13H2,(H,19,24)(H,20,21)/t15-,16-,17-/m1/s1
InChIKeyHVWVJSBYQIUUIB-BRWVUGGUSA-N
XLogP1.90
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

(2S)-N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 124738333
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
(2S,3R)-N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-methyl-2-phenylazetidine-1-carboxamide
CID 124840709
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597428
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-aminopyridazine-3-carboxamide
CID 79072183
(2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 129382165
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)morpholine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 99852891) is (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCCC[C@@H]1c1cn[nH]c1.
What is the InChIKey of (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is HVWVJSBYQIUUIB-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H29N5O2/c24-18(23-8-4-2-6-17(23)14-9-20-21-10-14)19-11-16-12-22-7-3-1-5-15(22)13-25-16/h9-10,15-17H,1-8,11-13H2,(H,19,24)(H,20,21)/t15-,16-,17-/m1/s1.
What are the key properties of (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99852891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).