[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

C17H26N4O2 — CID 165419586

IUPAC[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOC1CCC(NC2CCN(C(=O)c3cnccn3)CC2)CC1
InChIInChI=1S/C17H26N4O2/c1-23-15-4-2-13(3-5-15)20-14-6-10-21(11-7-14)17(22)16-12-18-8-9-19-16/h8-9,12-15,20H,2-7,10-11H2,1H3
InChIKeyMKZZUVULZUHPNN-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.63
Rot. Bonds4

About [4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 165419586) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID165419586
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOC1CCC(NC2CCN(C(=O)c3cnccn3)CC2)CC1
InChIInChI=1S/C17H26N4O2/c1-23-15-4-2-13(3-5-15)20-14-6-10-21(11-7-14)17(22)16-12-18-8-9-19-16/h8-9,12-15,20H,2-7,10-11H2,1H3
InChIKeyMKZZUVULZUHPNN-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
pyrazin-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazol-6-ylamino)piperidin-1-yl]methanone
CID 131896006
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108550660
4-ethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566859
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
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
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 165419586) is [4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is COC1CCC(NC2CCN(C(=O)c3cnccn3)CC2)CC1.
What is the InChIKey of [4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is MKZZUVULZUHPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-23-15-4-2-13(3-5-15)20-14-6-10-21(11-7-14)17(22)16-12-18-8-9-19-16/h8-9,12-15,20H,2-7,10-11H2,1H3.
What are the key properties of [4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 318.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 165419586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).