methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

C14H26N2O3 — CID 60676690

IUPACmethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-10(12(17)15-14(2,3)4)16-8-6-11(7-9-16)13(18)19-5/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyAVDNVLWKBRGTIN-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds3

About methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 60676690) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID60676690
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-10(12(17)15-14(2,3)4)16-8-6-11(7-9-16)13(18)19-5/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyAVDNVLWKBRGTIN-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8754673
N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119922516
2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
CID 18144798
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
methyl (2S)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 129133775
methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60638894
methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741766
1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 95774822
N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 51244020
methyl 1-(1-cyanoethyl)piperidine-4-carboxylate
CID 60644934
methyl 1-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 41075173
N-tert-butyl-2-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507937

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 60676690) is methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is COC(=O)C1CCN(C(C)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is AVDNVLWKBRGTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(12(17)15-14(2,3)4)16-8-6-11(7-9-16)13(18)19-5/h10-11H,6-9H2,1-5H3,(H,15,17).
What are the key properties of methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 60676690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).