4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline

C18H19N5O — CID 163354927

IUPAC4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
SMILESc1ccc2c(N3CCCC(COc4cnccn4)C3)ncnc2c1
InChIInChI=1S/C18H19N5O/c1-2-6-16-15(5-1)18(22-13-21-16)23-9-3-4-14(11-23)12-24-17-10-19-7-8-20-17/h1-2,5-8,10,13-14H,3-4,9,11-12H2
InChIKeyRZPDUSAMHMVZPV-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.72
Rot. Bonds4

About 4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline

4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline (PubChem CID 163354927) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
PubChem CID163354927
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
SMILESc1ccc2c(N3CCCC(COc4cnccn4)C3)ncnc2c1
InChIInChI=1S/C18H19N5O/c1-2-6-16-15(5-1)18(22-13-21-16)23-9-3-4-14(11-23)12-24-17-10-19-7-8-20-17/h1-2,5-8,10,13-14H,3-4,9,11-12H2
InChIKeyRZPDUSAMHMVZPV-UHFFFAOYSA-N
XLogP2.72
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline
CID 163353005
2-[[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine
CID 163354536
4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
CID 63389905
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine
CID 163354154
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163354137
4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163355020
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine
CID 163354160
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 154575992
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline?
The IUPAC name of 4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline (CID 163354927) is 4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline?
The canonical SMILES for 4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline is c1ccc2c(N3CCCC(COc4cnccn4)C3)ncnc2c1.
What is the InChIKey of 4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline?
The InChIKey is RZPDUSAMHMVZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-6-16-15(5-1)18(22-13-21-16)23-9-3-4-14(11-23)12-24-17-10-19-7-8-20-17/h1-2,5-8,10,13-14H,3-4,9,11-12H2.
What are the key properties of 4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline?
4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline has a molecular weight of 321.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 163354927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).