tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate

C16H30N2O3 — CID 43176192

IUPACtert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)CCNC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-12(2)8-9-17-14(19)13-7-6-10-18(11-13)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyRCHIIZIIKKDSFG-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.80
Rot. Bonds4

About tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate

tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate (PubChem CID 43176192) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
PubChem CID43176192
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)CCNC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-12(2)8-9-17-14(19)13-7-6-10-18(11-13)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyRCHIIZIIKKDSFG-UHFFFAOYSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 160697119
tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480
tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522
tert-butyl 3-[2-(2-oxoazepan-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 55688927
tert-butyl 3-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 115636066
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 31327704
3-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 84551294
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
tert-butyl (3S)-3-[(3-ethoxy-1-hydroxycyclobutyl)methylcarbamoyl]piperidine-1-carboxylate
CID 100667750
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate (CID 43176192) is tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate is CC(C)CCNC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is RCHIIZIIKKDSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)8-9-17-14(19)13-7-6-10-18(11-13)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 43176192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).