tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate

C20H29N3O4 — CID 168701779

IUPACtert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccccc2N2CC(O)CC2=O)CC1
InChIInChI=1S/C20H29N3O4/c1-20(2,3)27-19(26)22-10-8-14(9-11-22)21-16-6-4-5-7-17(16)23-13-15(24)12-18(23)25/h4-7,14-15,21,24H,8-13H2,1-3H3
InChIKeyGCHOBSJUBGOBKK-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate

tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate (PubChem CID 168701779) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate
PubChem CID168701779
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Nametert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccccc2N2CC(O)CC2=O)CC1
InChIInChI=1S/C20H29N3O4/c1-20(2,3)27-19(26)22-10-8-14(9-11-22)21-16-6-4-5-7-17(16)23-13-15(24)12-18(23)25/h4-7,14-15,21,24H,8-13H2,1-3H3
InChIKeyGCHOBSJUBGOBKK-UHFFFAOYSA-N
XLogP2.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(4-ethynyl-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate
CID 168500234
tert-butyl 4-[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]anilino]piperidine-1-carboxylate
CID 168680548
tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
CID 57248020
tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate
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tert-butyl 4-(2-amino-3-methoxycarbonylanilino)piperidine-1-carboxylate
CID 71623656
tert-butyl 3-[2-(trifluoromethyl)anilino]pyrrolidine-1-carboxylate
CID 103820804
2-fluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
CID 59006330
tert-butyl 4-(3-fluoro-2-nitroanilino)piperidine-1-carboxylate
CID 53255496
tert-butyl 4-(3-chloro-2-nitroanilino)piperidine-1-carboxylate
CID 130431417
tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate
CID 171103346
tert-butyl 4-(4-amino-2-fluoroanilino)piperidine-1-carboxylate
CID 68671753
tert-butyl (3S)-3-(2-nitroanilino)pyrrolidine-1-carboxylate
CID 91756808

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate (CID 168701779) is tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ccccc2N2CC(O)CC2=O)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate?
The InChIKey is GCHOBSJUBGOBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-20(2,3)27-19(26)22-10-8-14(9-11-22)21-16-6-4-5-7-17(16)23-13-15(24)12-18(23)25/h4-7,14-15,21,24H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate is sourced from PubChem (CID 168701779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).