tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate

C16H30N2O3 — CID 60618286

IUPACtert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate
SMILESCCC(C)C(=O)NCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-6-12(2)14(19)17-10-13-8-7-9-18(11-13)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyCIJZOXJATGYZKN-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.80
Rot. Bonds4

About tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate

tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate (PubChem CID 60618286) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate
PubChem CID60618286
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate
SMILESCCC(C)C(=O)NCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-6-12(2)14(19)17-10-13-8-7-9-18(11-13)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyCIJZOXJATGYZKN-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-[[[(2S)-2-aminopropanoyl]amino]methyl]piperidine-1-carboxylate
CID 66564087
tert-butyl (3R)-3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 96552209
tert-butyl (3S)-3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 96552208
tert-butyl 3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 66564161
tert-butyl 3-[[[ethyl(methyl)carbamoyl]amino]methyl]piperidine-1-carboxylate
CID 71934310
tert-butyl (3S)-3-[[[(2S)-2-aminopropanoyl]amino]methyl]pyrrolidine-1-carboxylate
CID 96552151
tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
CID 165463661
tert-butyl 3-[(3-hydroxypentylamino)methyl]piperidine-1-carboxylate
CID 115703001
tert-butyl 3-[[(2-hydroxy-3-methylbutyl)amino]methyl]piperidine-1-carboxylate
CID 111434433
tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246551
tert-butyl 3-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]piperidine-1-carboxylate
CID 111227263
tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate
CID 103529632

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate (CID 60618286) is tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate is CCC(C)C(=O)NCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate?
The InChIKey is CIJZOXJATGYZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-12(2)14(19)17-10-13-8-7-9-18(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-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate?
tert-butyl 3-[(2-methylbutanoylamino)methyl]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-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 60618286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).