3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione

C24H30FN5O3 — CID 139460601

IUPAC3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione
SMILESO=C1CCC(NCCCc2cnnn2CC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1
InChIInChI=1S/C24H30FN5O3/c25-19-6-5-17(12-21(19)33-14-16-3-4-16)24(9-10-24)15-30-18(13-27-29-30)2-1-11-26-20-7-8-22(31)28-23(20)32/h5-6,12-13,16,20,26H,1-4,7-11,14-15H2,(H,28,31,32)
InChIKeyVANFFPJCRDLEDR-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.27
Rot. Bonds11

About 3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione

3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione (PubChem CID 139460601) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is 3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione
PubChem CID139460601
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC Name3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione
SMILESO=C1CCC(NCCCc2cnnn2CC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1
InChIInChI=1S/C24H30FN5O3/c25-19-6-5-17(12-21(19)33-14-16-3-4-16)24(9-10-24)15-30-18(13-27-29-30)2-1-11-26-20-7-8-22(31)28-23(20)32/h5-6,12-13,16,20,26H,1-4,7-11,14-15H2,(H,28,31,32)
InChIKeyVANFFPJCRDLEDR-UHFFFAOYSA-N
XLogP2.27
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]triazol-4-yl]propylamino]piperidin-2-one
CID 123230205
3-[4-[3-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]triazol-4-yl]butyl]piperidine-2,6-dione
CID 118863570
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide
CID 135378834
3-[4-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]triazol-4-yl]butylamino]-3-methylpiperidine-2,6-dione
CID 90277853
3-[4-[3-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]triazol-4-yl]butylamino]-3-methylpiperidine-2,6-dione
CID 90273490
6-[4-[3-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]triazol-4-yl]butyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118863567
3-[3-[[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-dihydroxypentyl]-methylamino]propylamino]piperidine-2,6-dione
CID 139460464
3-[4-[3-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]triazol-4-yl]butylamino]-6-hydroxy-3,6-dimethylpiperidin-2-one
CID 123239021
3-[(E)-7-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]hept-2-enyl]piperidine-2,6-dione
CID 134553665
3-(cyclopropylmethoxy)-N-[7-[(2,5-dioxopyrrolidin-3-yl)amino]-2-methylheptan-2-yl]-4-fluorobenzenesulfonamide
CID 140885285
3-[(Z)-7-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]hept-2-enyl]piperidine-2,6-dione
CID 134553801
(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide
CID 146228099

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione?
The IUPAC name of 3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione (CID 139460601) is 3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione is O=C1CCC(NCCCc2cnnn2CC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1.
What is the InChIKey of 3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione?
The InChIKey is VANFFPJCRDLEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c25-19-6-5-17(12-21(19)33-14-16-3-4-16)24(9-10-24)15-30-18(13-27-29-30)2-1-11-26-20-7-8-22(31)28-23(20)32/h5-6,12-13,16,20,26H,1-4,7-11,14-15H2,(H,28,31,32).
What are the key properties of 3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione?
3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione has a molecular weight of 455.53 g/mol, XLogP of 2.27, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methyl]triazol-4-yl]propylamino]piperidine-2,6-dione is sourced from PubChem (CID 139460601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).