[4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone

C18H26N4O — CID 56704132

IUPAC[4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(NC1CCN(C(=O)c2cnccn2)CC1)C1=CCCCC1
InChIInChI=1S/C18H26N4O/c1-14(15-5-3-2-4-6-15)21-16-7-11-22(12-8-16)18(23)17-13-19-9-10-20-17/h5,9-10,13-14,16,21H,2-4,6-8,11-12H2,1H3
InChIKeyDIUBZQQFLXUZKW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.56
Rot. Bonds4

About [4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 56704132) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is [4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID56704132
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name[4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(NC1CCN(C(=O)c2cnccn2)CC1)C1=CCCCC1
InChIInChI=1S/C18H26N4O/c1-14(15-5-3-2-4-6-15)21-16-7-11-22(12-8-16)18(23)17-13-19-9-10-20-17/h5,9-10,13-14,16,21H,2-4,6-8,11-12H2,1H3
InChIKeyDIUBZQQFLXUZKW-UHFFFAOYSA-N
XLogP2.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 131905619
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 165419586
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
[4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124860249
[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 99702778
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993

Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 56704132) is [4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone is CC(NC1CCN(C(=O)c2cnccn2)CC1)C1=CCCCC1.
What is the InChIKey of [4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is DIUBZQQFLXUZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(15-5-3-2-4-6-15)21-16-7-11-22(12-8-16)18(23)17-13-19-9-10-20-17/h5,9-10,13-14,16,21H,2-4,6-8,11-12H2,1H3.
What are the key properties of [4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 314.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 56704132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).