[4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone

C20H22N4O2 — CID 141336866

IUPAC[4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(Oc2ccc(N3C=CCC3)cc2)CC1
InChIInChI=1S/C20H22N4O2/c25-20(19-15-21-9-10-22-19)24-13-7-18(8-14-24)26-17-5-3-16(4-6-17)23-11-1-2-12-23/h1,3-6,9-11,15,18H,2,7-8,12-14H2
InChIKeyFPRUSRVVPWFHHN-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.88
Rot. Bonds4

About [4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 141336866) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID141336866
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(Oc2ccc(N3C=CCC3)cc2)CC1
InChIInChI=1S/C20H22N4O2/c25-20(19-15-21-9-10-22-19)24-13-7-18(8-14-24)26-17-5-3-16(4-6-17)23-11-1-2-12-23/h1,3-6,9-11,15,18H,2,7-8,12-14H2
InChIKeyFPRUSRVVPWFHHN-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 154761996
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643230
pyrazin-2-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451301
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
CID 71514720

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 141336866) is [4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(Oc2ccc(N3C=CCC3)cc2)CC1.
What is the InChIKey of [4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is FPRUSRVVPWFHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(19-15-21-9-10-22-19)24-13-7-18(8-14-24)26-17-5-3-16(4-6-17)23-11-1-2-12-23/h1,3-6,9-11,15,18H,2,7-8,12-14H2.
What are the key properties of [4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 350.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 141336866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).