methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate

C15H28N2O3 — CID 78920649

IUPACmethyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(C)C(=O)NCCC(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11(2)7-8-16-14(18)12(3)17-9-5-6-13(10-17)15(19)20-4/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyINWROSXRQQICMJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.42
Rot. Bonds6

About methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate

methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate (PubChem CID 78920649) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
PubChem CID78920649
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(C)C(=O)NCCC(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11(2)7-8-16-14(18)12(3)17-9-5-6-13(10-17)15(19)20-4/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyINWROSXRQQICMJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78921832
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 79037827
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
CID 79038248
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920382
methyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920334
ethyl (3R)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338323
methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 78921362
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 55258927
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide
CID 78963745
ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 60676295
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate (CID 78920649) is methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(C)C(=O)NCCC(C)C)C1.
What is the InChIKey of methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The InChIKey is INWROSXRQQICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)7-8-16-14(18)12(3)17-9-5-6-13(10-17)15(19)20-4/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 78920649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).