methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate

C16H21N3O3 — CID 95575195

IUPACmethyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC[C@@H](c3ccnn3C)C2)o1
InChIInChI=1S/C16H21N3O3/c1-18-14(7-8-17-18)12-4-3-9-19(10-12)11-13-5-6-15(22-13)16(20)21-2/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m1/s1
InChIKeyQJXXYDYHPOVQPV-GFCCVEGCSA-N
MW303.36 g/mol
LogP2.18
Rot. Bonds4

About methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate

methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 95575195) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate
PubChem CID95575195
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Namemethyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC[C@@H](c3ccnn3C)C2)o1
InChIInChI=1S/C16H21N3O3/c1-18-14(7-8-17-18)12-4-3-9-19(10-12)11-13-5-6-15(22-13)16(20)21-2/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m1/s1
InChIKeyQJXXYDYHPOVQPV-GFCCVEGCSA-N
XLogP2.18
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
ethyl (3S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 81338404
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
CID 79868617
2-[5-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126444419
methyl 5-[[4-(1-methylpyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate
CID 3345183
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 63596044
methyl 5-[[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate
CID 3868569
[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 95578552
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 95765062
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate (CID 95575195) is methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2CCC[C@@H](c3ccnn3C)C2)o1.
What is the InChIKey of methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is QJXXYDYHPOVQPV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-18-14(7-8-17-18)12-4-3-9-19(10-12)11-13-5-6-15(22-13)16(20)21-2/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 95575195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).