(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide

C17H26N4O2 — CID 97193281

IUPAC(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2CCCN(C3CCOCC3)C2)cn1
InChIInChI=1S/C17H26N4O2/c1-13-9-19-15(10-18-13)11-20-17(22)14-3-2-6-21(12-14)16-4-7-23-8-5-16/h9-10,14,16H,2-8,11-12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyCLIYYBGQSMVWQZ-AWEZNQCLSA-N
MW318.42 g/mol
LogP1.29
Rot. Bonds4

About (3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide

(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 97193281) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID97193281
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2CCCN(C3CCOCC3)C2)cn1
InChIInChI=1S/C17H26N4O2/c1-13-9-19-15(10-18-13)11-20-17(22)14-3-2-6-21(12-14)16-4-7-23-8-5-16/h9-10,14,16H,2-8,11-12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyCLIYYBGQSMVWQZ-AWEZNQCLSA-N
XLogP1.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72890644
(3S)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97198838
(3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97204559
1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 72914125
(3R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 136916442
(3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 136822796
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 95539357
(3R,3aS,6aS)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155839415
N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72876993
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96575243
1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide (CID 97193281) is (3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide is Cc1cnc(CNC(=O)[C@H]2CCCN(C3CCOCC3)C2)cn1.
What is the InChIKey of (3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is CLIYYBGQSMVWQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-9-19-15(10-18-13)11-20-17(22)14-3-2-6-21(12-14)16-4-7-23-8-5-16/h9-10,14,16H,2-8,11-12H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97193281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).