[4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

C19H27N5O3 — CID 55589685

IUPAC[4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2cnccn2)C1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H27N5O3/c25-18(15-3-1-7-24(14-15)17-13-20-5-6-21-17)22-8-10-23(11-9-22)19(26)16-4-2-12-27-16/h5-6,13,15-16H,1-4,7-12,14H2
InChIKeyVENATSQZHCEOLX-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.54
Rot. Bonds3

About [4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

[4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone (PubChem CID 55589685) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
PubChem CID55589685
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name[4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2cnccn2)C1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H27N5O3/c25-18(15-3-1-7-24(14-15)17-13-20-5-6-21-17)22-8-10-23(11-9-22)19(26)16-4-2-12-27-16/h5-6,13,15-16H,1-4,7-12,14H2
InChIKeyVENATSQZHCEOLX-UHFFFAOYSA-N
XLogP0.54
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 56720257
2-Methoxy-1-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone
CID 118743166
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(oxolan-2-yl)methanone
CID 127023631
[4-(6-Chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 56804298
[(5R)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 97502462
[(5S)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 97502463
(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone
CID 131652611
(1-Fluorocyclobutyl)-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131685158
(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2S)-oxolan-2-yl]methanone
CID 133137539
3-(Morpholin-4-ylcarbonyl)-1'-pyrazin-2-yl-1,4'-bipiperidine
CID 56865621
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990550

Frequently Asked Questions

What is the IUPAC name of [4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
The IUPAC name of [4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone (CID 55589685) is [4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone is O=C(C1CCCN(c2cnccn2)C1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
The InChIKey is VENATSQZHCEOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c25-18(15-3-1-7-24(14-15)17-13-20-5-6-21-17)22-8-10-23(11-9-22)19(26)16-4-2-12-27-16/h5-6,13,15-16H,1-4,7-12,14H2.
What are the key properties of [4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
[4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolane-2-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 55589685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).