tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate

C21H30N2O3 — CID 55438903

IUPACtert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)NC2CCc3ccccc3C2)C1
InChIInChI=1S/C21H30N2O3/c1-21(2,3)26-20(25)23-12-6-9-17(14-23)19(24)22-18-11-10-15-7-4-5-8-16(15)13-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,22,24)
InChIKeyLKUVKFXAGGOEFF-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.31
Rot. Bonds2

About tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate

tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 55438903) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID55438903
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Nametert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)NC2CCc3ccccc3C2)C1
InChIInChI=1S/C21H30N2O3/c1-21(2,3)26-20(25)23-12-6-9-17(14-23)19(24)22-18-11-10-15-7-4-5-8-16(15)13-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,22,24)
InChIKeyLKUVKFXAGGOEFF-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-3-carboxamide
CID 55622704
tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51930968
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
CID 124750324
tert-butyl 3-[[(2-fluorobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 166104055
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 24575440
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
tert-butyl (3S)-3-[[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 129377148
tert-butyl (3R)-3-[[(3R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 51961600
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
methyl 4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]-1,4-diazepane-1-carboxylate
CID 95299227

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate (CID 55438903) is tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)NC2CCc3ccccc3C2)C1.
What is the InChIKey of tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is LKUVKFXAGGOEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-21(2,3)26-20(25)23-12-6-9-17(14-23)19(24)22-18-11-10-15-7-4-5-8-16(15)13-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 55438903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).