[4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone

C19H28N4O — CID 124860249

IUPAC[4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC1=CCC[C@H](C)[C@H]1CNC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C19H28N4O/c1-14-4-3-5-15(2)17(14)12-22-16-6-10-23(11-7-16)19(24)18-13-20-8-9-21-18/h4,8-9,13,15-17,22H,3,5-7,10-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyAQQDEGWMFORTGX-RDJZCZTQSA-N
MW328.46 g/mol
LogP2.66
Rot. Bonds4

About [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 124860249) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID124860249
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name[4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC1=CCC[C@H](C)[C@H]1CNC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C19H28N4O/c1-14-4-3-5-15(2)17(14)12-22-16-6-10-23(11-7-16)19(24)18-13-20-8-9-21-18/h4,8-9,13,15-17,22H,3,5-7,10-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyAQQDEGWMFORTGX-RDJZCZTQSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

1-[4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-3-methylbutan-1-one
CID 99832564
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine
CID 99635515
[4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 56704132
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868
[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 165419586
tert-butyl N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 71632480
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 99702778
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 124860249) is [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone is CC1=CCC[C@H](C)[C@H]1CNC1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is AQQDEGWMFORTGX-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-4-3-5-15(2)17(14)12-22-16-6-10-23(11-7-16)19(24)18-13-20-8-9-21-18/h4,8-9,13,15-17,22H,3,5-7,10-12H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 328.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 124860249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).