6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide

C17H26N4O3 — CID 95549432

IUPAC6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCC(CO)(C[C@H]3CCCCO3)CC2)n1
InChIInChI=1S/C17H26N4O3/c18-16(23)14-10-19-11-15(20-14)21-6-4-17(12-22,5-7-21)9-13-3-1-2-8-24-13/h10-11,13,22H,1-9,12H2,(H2,18,23)/t13-/m1/s1
InChIKeyNOTRINJURGOUBP-CYBMUJFWSA-N
MW334.42 g/mol
LogP1.11
Rot. Bonds5

About 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide

6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 95549432) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID95549432
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCC(CO)(C[C@H]3CCCCO3)CC2)n1
InChIInChI=1S/C17H26N4O3/c18-16(23)14-10-19-11-15(20-14)21-6-4-17(12-22,5-7-21)9-13-3-1-2-8-24-13/h10-11,13,22H,1-9,12H2,(H2,18,23)/t13-/m1/s1
InChIKeyNOTRINJURGOUBP-CYBMUJFWSA-N
XLogP1.11
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

2-[4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56748458
[4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol
CID 56752872
6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450319
ethyl 4-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26315201
6-[(5R)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide
CID 126442461
N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
CID 45205523
1-(8-chloroquinolin-2-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
CID 95557663
6-[4-(phenylcarbamoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 133358652
[4-(oxan-2-ylmethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]methanol
CID 45195451
4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 95218387
[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
CID 95463470

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide (CID 95549432) is 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide is NC(=O)c1cncc(N2CCC(CO)(C[C@H]3CCCCO3)CC2)n1.
What is the InChIKey of 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is NOTRINJURGOUBP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O3/c18-16(23)14-10-19-11-15(20-14)21-6-4-17(12-22,5-7-21)9-13-3-1-2-8-24-13/h10-11,13,22H,1-9,12H2,(H2,18,23)/t13-/m1/s1.
What are the key properties of 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide?
6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 95549432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).