1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

C21H31N3O2 — CID 56709388

IUPAC1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cc(C2CCN(Cc3ccc(C4CCCCO4)o3)CC2)[nH]n1
InChIInChI=1S/C21H31N3O2/c1-15(2)18-13-19(23-22-18)16-8-10-24(11-9-16)14-17-6-7-21(26-17)20-5-3-4-12-25-20/h6-7,13,15-16,20H,3-5,8-12,14H2,1-2H3,(H,22,23)
InChIKeyPSPWMLIZTUJKGU-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.75
Rot. Bonds5

About 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 56709388) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID56709388
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cc(C2CCN(Cc3ccc(C4CCCCO4)o3)CC2)[nH]n1
InChIInChI=1S/C21H31N3O2/c1-15(2)18-13-19(23-22-18)16-8-10-24(11-9-16)14-17-6-7-21(26-17)20-5-3-4-12-25-20/h6-7,13,15-16,20H,3-5,8-12,14H2,1-2H3,(H,22,23)
InChIKeyPSPWMLIZTUJKGU-UHFFFAOYSA-N
XLogP4.75
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine with MolForge

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Related Compounds

4-ethyl-3-[[1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 95134772
3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 163306536
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine
CID 56900525
5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 45219508
4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol
CID 95203862
1-(4-fluorophenyl)-4-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,4-diazepane
CID 74247790
[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 77094411
6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol
CID 56711478
4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 56705526
3-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]chromen-4-one
CID 56715093
4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline
CID 56887626
3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 77095496

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (CID 56709388) is 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is CC(C)c1cc(C2CCN(Cc3ccc(C4CCCCO4)o3)CC2)[nH]n1.
What is the InChIKey of 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is PSPWMLIZTUJKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15(2)18-13-19(23-22-18)16-8-10-24(11-9-16)14-17-6-7-21(26-17)20-5-3-4-12-25-20/h6-7,13,15-16,20H,3-5,8-12,14H2,1-2H3,(H,22,23).
What are the key properties of 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 357.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 56709388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).