(3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol

C19H29N5O2 — CID 31135307

IUPAC(3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1cc(CN2CCC(n3cc(CN4CC[C@H](O)C4)nn3)CC2)oc1C
InChIInChI=1S/C19H29N5O2/c1-14-9-19(26-15(14)2)13-22-6-3-17(4-7-22)24-11-16(20-21-24)10-23-8-5-18(25)12-23/h9,11,17-18,25H,3-8,10,12-13H2,1-2H3/t18-/m0/s1
InChIKeyWLOUQBDPBADXSB-SFHVURJKSA-N
MW359.47 g/mol
LogP1.89
Rot. Bonds5

About (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol

(3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 31135307) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID31135307
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1cc(CN2CCC(n3cc(CN4CC[C@H](O)C4)nn3)CC2)oc1C
InChIInChI=1S/C19H29N5O2/c1-14-9-19(26-15(14)2)13-22-6-3-17(4-7-22)24-11-16(20-21-24)10-23-8-5-18(25)12-23/h9,11,17-18,25H,3-8,10,12-13H2,1-2H3/t18-/m0/s1
InChIKeyWLOUQBDPBADXSB-SFHVURJKSA-N
XLogP1.89
TPSA70.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

4-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 154885995
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
(3S)-1-[[1-[1-(2-methylquinolin-4-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 154891063
5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63572070
(2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 31161314
2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 146139036
5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine
CID 73350605
(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882978
(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 95712860
[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
CID 79170378
5-[[1-[(4,5-dimethylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 169421004
(2S)-2-[4-[4-(azepan-1-ylmethyl)triazol-1-yl]piperidin-1-yl]-N,N-dimethylpropan-1-amine
CID 95046771

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol (CID 31135307) is (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol is Cc1cc(CN2CCC(n3cc(CN4CC[C@H](O)C4)nn3)CC2)oc1C.
What is the InChIKey of (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is WLOUQBDPBADXSB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-14-9-19(26-15(14)2)13-22-6-3-17(4-7-22)24-11-16(20-21-24)10-23-8-5-18(25)12-23/h9,11,17-18,25H,3-8,10,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol?
(3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 359.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 31135307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).