tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate

C22H32N2O4 — CID 51325156

IUPACtert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOc1cccc(C2CCCN2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C22H32N2O4/c1-22(2,3)28-21(26)23-13-10-16(11-14-23)20(25)24-12-6-9-19(24)17-7-5-8-18(15-17)27-4/h5,7-8,15-16,19H,6,9-14H2,1-4H3
InChIKeyGLCBMUSUQQCWAU-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.01
Rot. Bonds3

About tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate

tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 51325156) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID51325156
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Nametert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOc1cccc(C2CCCN2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C22H32N2O4/c1-22(2,3)28-21(26)23-13-10-16(11-14-23)20(25)24-12-6-9-19(24)17-7-5-8-18(15-17)27-4/h5,7-8,15-16,19H,6,9-14H2,1-4H3
InChIKeyGLCBMUSUQQCWAU-UHFFFAOYSA-N
XLogP4.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97206838
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
tert-butyl (2S,3S)-3-hydroxy-2-(3-methoxyphenyl)piperidine-1-carboxylate
CID 11381259
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 122137368
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 76894813
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913273

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate (CID 51325156) is tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate is COc1cccc(C2CCCN2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is GLCBMUSUQQCWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-22(2,3)28-21(26)23-13-10-16(11-14-23)20(25)24-12-6-9-19(24)17-7-5-8-18(15-17)27-4/h5,7-8,15-16,19H,6,9-14H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 51325156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).