2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate

C19H33N3O4 — CID 108560608

IUPAC2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C19H33N3O4/c1-13(2)12-26-18(25)21-8-6-15(7-9-21)20-17(24)14-10-16(23)22(11-14)19(3,4)5/h13-15H,6-12H2,1-5H3,(H,20,24)
InChIKeyXSSNPJQTHDRTON-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.01
Rot. Bonds4

About 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate

2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 108560608) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID108560608
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Name2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C19H33N3O4/c1-13(2)12-26-18(25)21-8-6-15(7-9-21)20-17(24)14-10-16(23)22(11-14)19(3,4)5/h13-15H,6-12H2,1-5H3,(H,20,24)
InChIKeyXSSNPJQTHDRTON-UHFFFAOYSA-N
XLogP2.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]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

(3S)-1-tert-butyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 171359067
Ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 55616594
tert-butyl N-[1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 55868499
Ethyl 4-{[(1-isobutyl-5-oxopyrrolidin-3-yl)carbonyl]amino}piperidine-1-carboxylate
CID 46596887
(r/s)-4-[(Pyrrolidine-3-carbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 58593019
(r/s)-4-[(1-Tert-butoxycarbonyl-pyrrolidin-3-ylmethyl)-carbamoyl]-piperidine-1-carboxylic acid tert-butyl ester
CID 58593112
tert-butyl 4-[(3S)-3-(methylcarbamoyl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 68054358
tert-butyl 4-[(3R)-3-(methylcarbamoyl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 68054376
Butan-1-amine;ethyl 4-aminopiperidine-1-carboxylate;piperidine-4-carboxamide;pyrrolidine
CID 70107233
Tert-butyl 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 77449582
tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 90766274
tert-butyl 4-[[(3R)-pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 91037035

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate (CID 108560608) is 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is XSSNPJQTHDRTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-13(2)12-26-18(25)21-8-6-15(7-9-21)20-17(24)14-10-16(23)22(11-14)19(3,4)5/h13-15H,6-12H2,1-5H3,(H,20,24).
What are the key properties of 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate?
2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108560608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).