propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate

C29H33N3O5 — CID 66991541

IUPACpropan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4cnccc45)CC3)cc2)CC1
InChIInChI=1S/C29H33N3O5/c1-19(2)36-27(35)31-14-8-21(9-15-31)20-3-5-22(6-4-20)28(10-11-28)26(34)32-16-12-29(18-32)24-7-13-30-17-23(24)25(33)37-29/h3-7,13,17,19,21H,8-12,14-16,18H2,1-2H3
InChIKeyMTZXBKKQPPFOAB-UHFFFAOYSA-N
MW503.60 g/mol
LogP4.14
Rot. Bonds4

About propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate

propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate (PubChem CID 66991541) has the molecular formula C29H33N3O5 and a molecular weight of 503.60 g/mol. Its IUPAC name is propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate
PubChem CID66991541
Molecular FormulaC29H33N3O5
Molecular Weight503.60 g/mol
Exact Mass503.24
IUPAC Namepropan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4cnccc45)CC3)cc2)CC1
InChIInChI=1S/C29H33N3O5/c1-19(2)36-27(35)31-14-8-21(9-15-31)20-3-5-22(6-4-20)28(10-11-28)26(34)32-16-12-29(18-32)24-7-13-30-17-23(24)25(33)37-29/h3-7,13,17,19,21H,8-12,14-16,18H2,1-2H3
InChIKeyMTZXBKKQPPFOAB-UHFFFAOYSA-N
XLogP4.14
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]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

1'-[1-(4-cyclobutylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66991988
ethyl 4-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]piperidine-1-carboxylate
CID 66661864
1'-[1-[4-(oxan-4-yloxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661812
1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662614
1'-[1-[4-(4-propanoylpiperazin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662626
propan-2-yl 4-[5-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]-2-pyridinyl]piperazine-1-carboxylate
CID 66662248
1'-[1-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662458
1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662221
3-oxo-1'-[1-[4-[(sulfinoamino)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]
CID 118205758
1'-[1-[4-(3-aminopyrazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662258
1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661670
1'-[1-[4-(benzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662286

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate (CID 66991541) is propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4cnccc45)CC3)cc2)CC1.
What is the InChIKey of propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate?
The InChIKey is MTZXBKKQPPFOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O5/c1-19(2)36-27(35)31-14-8-21(9-15-31)20-3-5-22(6-4-20)28(10-11-28)26(34)32-16-12-29(18-32)24-7-13-30-17-23(24)25(33)37-29/h3-7,13,17,19,21H,8-12,14-16,18H2,1-2H3.
What are the key properties of propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate?
propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate has a molecular weight of 503.60 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 66991541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).