3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone

C18H23N3O2 — CID 97281855

IUPAC3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCn2cccc2C1
InChIInChI=1S/C18H23N3O2/c22-18(21-10-9-20-8-2-5-16(20)13-21)15-4-1-7-19(12-15)14-17-6-3-11-23-17/h2-3,5-6,8,11,15H,1,4,7,9-10,12-14H2/t15-/m1/s1
InChIKeyOZBVSJOQIKENCO-OAHLLOKOSA-N
MW313.40 g/mol
LogP2.34
Rot. Bonds3

About 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone

3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 97281855) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
PubChem CID97281855
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCn2cccc2C1
InChIInChI=1S/C18H23N3O2/c22-18(21-10-9-20-8-2-5-16(20)13-21)15-4-1-7-19(12-15)14-17-6-3-11-23-17/h2-3,5-6,8,11,15H,1,4,7,9-10,12-14H2/t15-/m1/s1
InChIKeyOZBVSJOQIKENCO-OAHLLOKOSA-N
XLogP2.34
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 72901707
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72892319
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 97188319
[1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72840488
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 72838935
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 97192888
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72893838
[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 97187368
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 72840558
8-[(3R)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 97276236
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone (CID 97281855) is 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone is O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCn2cccc2C1.
What is the InChIKey of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is OZBVSJOQIKENCO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-18(21-10-9-20-8-2-5-16(20)13-21)15-4-1-7-19(12-15)14-17-6-3-11-23-17/h2-3,5-6,8,11,15H,1,4,7,9-10,12-14H2/t15-/m1/s1.
What are the key properties of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone?
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 97281855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).