tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C22H32N4O5S — CID 71736574

IUPACtert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(N4CCN(S(C)(=O)=O)CC4)ncc3o2)CC1
InChIInChI=1S/C22H32N4O5S/c1-22(2,3)31-21(27)25-7-5-16(6-8-25)18-13-17-14-20(23-15-19(17)30-18)24-9-11-26(12-10-24)32(4,28)29/h13-16H,5-12H2,1-4H3
InChIKeyVPEJAKZVNBZQJP-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 71736574) has the molecular formula C22H32N4O5S and a molecular weight of 464.59 g/mol. Its IUPAC name is tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID71736574
Molecular FormulaC22H32N4O5S
Molecular Weight464.59 g/mol
Exact Mass464.21
IUPAC Nametert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(N4CCN(S(C)(=O)=O)CC4)ncc3o2)CC1
InChIInChI=1S/C22H32N4O5S/c1-22(2,3)31-21(27)25-7-5-16(6-8-25)18-13-17-14-20(23-15-19(17)30-18)24-9-11-26(12-10-24)32(4,28)29/h13-16H,5-12H2,1-4H3
InChIKeyVPEJAKZVNBZQJP-UHFFFAOYSA-N
XLogP3.02
TPSA96.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-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

4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736241
4-[5-(4-Methanesulfonylamino-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736413
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid isopropyl ester
CID 86694579
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid 1-methyl-cyclopropyl ester
CID 86694581
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl
CID 86694582
2-[1-(5-Chloro-pyrimidin-2-yl)-piperidin-4-yl]-5-(1-methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridine
CID 86694584
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-4-methyl-piperidine-1-carboxylic acid tert-butyl ester
CID 86694587
3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 31134575
(4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1-methanesulfonyl-1H-pyrrolo[2,3-b]pyridin-2-yl]-methanone
CID 16727132
2-[(2S,6R)-2,6-dimethyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone
CID 67307585
2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone
CID 77263744
5-(1-methylsulfinyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine;hydrate
CID 145629757

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 71736574) is tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3cc(N4CCN(S(C)(=O)=O)CC4)ncc3o2)CC1.
What is the InChIKey of tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is VPEJAKZVNBZQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5S/c1-22(2,3)31-21(27)25-7-5-16(6-8-25)18-13-17-14-20(23-15-19(17)30-18)24-9-11-26(12-10-24)32(4,28)29/h13-16H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 464.59 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(4-methylsulfonylpiperazin-1-yl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71736574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).