tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate

C30H55N3O4 — CID 143850807

IUPACtert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate
SMILESCCC1C(C2CC(C)CCN2C)CN(C(=O)OC(C)(C)C)CC1C1CC(C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C30H55N3O4/c1-11-22-23(25-16-20(2)12-14-31(25)10)18-32(27(34)36-29(4,5)6)19-24(22)26-17-21(3)13-15-33(26)28(35)37-30(7,8)9/h20-26H,11-19H2,1-10H3
InChIKeyALOCQZRQPWYQJP-UHFFFAOYSA-N
MW521.79 g/mol
LogP6.26
Rot. Bonds3

About tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate

tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate (PubChem CID 143850807) has the molecular formula C30H55N3O4 and a molecular weight of 521.79 g/mol. Its IUPAC name is tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate
PubChem CID143850807
Molecular FormulaC30H55N3O4
Molecular Weight521.79 g/mol
Exact Mass521.42
IUPAC Nametert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate
SMILESCCC1C(C2CC(C)CCN2C)CN(C(=O)OC(C)(C)C)CC1C1CC(C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C30H55N3O4/c1-11-22-23(25-16-20(2)12-14-31(25)10)18-32(27(34)36-29(4,5)6)19-24(22)26-17-21(3)13-15-33(26)28(35)37-30(7,8)9/h20-26H,11-19H2,1-10H3
InChIKeyALOCQZRQPWYQJP-UHFFFAOYSA-N
XLogP6.26
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.79
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-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

tert-butyl (1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 164877871
tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate
CID 104921887
ditert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1,5-dicarboxylate
CID 77134389
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (1R,5R,6S)-6-hydroxy-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 131017793
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate
CID 58697632
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
tert-butyl 8-methyl-1,2,3,4,4a,6,7,8,9,9a-decahydropyrido[3,2-b]azepine-5-carboxylate
CID 82667287
tert-butyl 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 141197728
(1R,4R,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-4-carboxylic acid
CID 124710107

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate (CID 143850807) is tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate is CCC1C(C2CC(C)CCN2C)CN(C(=O)OC(C)(C)C)CC1C1CC(C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate?
The InChIKey is ALOCQZRQPWYQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55N3O4/c1-11-22-23(25-16-20(2)12-14-31(25)10)18-32(27(34)36-29(4,5)6)19-24(22)26-17-21(3)13-15-33(26)28(35)37-30(7,8)9/h20-26H,11-19H2,1-10H3.
What are the key properties of tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate?
tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate has a molecular weight of 521.79 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1,4-dimethylpiperidin-2-yl)-4-ethyl-5-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 143850807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).