[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C19H28N6O2 — CID 72838935

IUPAC[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCN(Cc2ccco2)C1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C19H28N6O2/c26-19(17-3-1-5-23(13-17)14-18-4-2-12-27-18)24-9-6-22(7-10-24)8-11-25-16-20-15-21-25/h2,4,12,15-17H,1,3,5-11,13-14H2
InChIKeyDWHPWUYNDFZOJR-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.93
Rot. Bonds6

About [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 72838935) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID72838935
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCN(Cc2ccco2)C1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C19H28N6O2/c26-19(17-3-1-5-23(13-17)14-18-4-2-12-27-18)24-9-6-22(7-10-24)8-11-25-16-20-15-21-25/h2,4,12,15-17H,1,3,5-11,13-14H2
InChIKeyDWHPWUYNDFZOJR-UHFFFAOYSA-N
XLogP0.93
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[(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]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 72901707
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 97192888
[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
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 97281855
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72892319
N-[(3S)-1-benzylpiperidin-3-yl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 126442251
3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 99978204
8-[(3R)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 97276236

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 72838935) is [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is O=C(C1CCCN(Cc2ccco2)C1)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is DWHPWUYNDFZOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c26-19(17-3-1-5-23(13-17)14-18-4-2-12-27-18)24-9-6-22(7-10-24)8-11-25-16-20-15-21-25/h2,4,12,15-17H,1,3,5-11,13-14H2.
What are the key properties of [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 72838935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).