[1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone

C19H25N5O2 — CID 74780672

IUPAC[1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn(C2CCN(CC=Cc3ccco3)CC2)nn1)N1CCCC1
InChIInChI=1S/C19H25N5O2/c25-19(23-10-1-2-11-23)18-15-24(21-20-18)16-7-12-22(13-8-16)9-3-5-17-6-4-14-26-17/h3-6,14-16H,1-2,7-13H2
InChIKeyPNMNQNNSLUDTCI-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.46
Rot. Bonds5

About [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone

[1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 74780672) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID74780672
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn(C2CCN(CC=Cc3ccco3)CC2)nn1)N1CCCC1
InChIInChI=1S/C19H25N5O2/c25-19(23-10-1-2-11-23)18-15-24(21-20-18)16-7-12-22(13-8-16)9-3-5-17-6-4-14-26-17/h3-6,14-16H,1-2,7-13H2
InChIKeyPNMNQNNSLUDTCI-UHFFFAOYSA-N
XLogP2.46
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45232594
[1-[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42168076
[1-[1-(3-phenylprop-2-enyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 74780580
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42501917
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
CID 26319284
[1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42398197
[1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 56718022
3-(4-methoxyphenyl)-1-[4-[4-(piperidine-1-carbonyl)triazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 74441833
[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42319702
(1R,9S)-5-(azepane-1-carbonyl)-11-[(E)-3-(furan-2-yl)prop-2-enyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 175640546
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437

Frequently Asked Questions

What is the IUPAC name of [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone (CID 74780672) is [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cn(C2CCN(CC=Cc3ccco3)CC2)nn1)N1CCCC1.
What is the InChIKey of [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PNMNQNNSLUDTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-19(23-10-1-2-11-23)18-15-24(21-20-18)16-7-12-22(13-8-16)9-3-5-17-6-4-14-26-17/h3-6,14-16H,1-2,7-13H2.
What are the key properties of [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
[1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 355.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 74780672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).