methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate

C13H22N2O3 — CID 71934992

IUPACmethyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C13H22N2O3/c1-18-13(17)15-9-5-6-11(10-15)12(16)14-7-3-2-4-8-14/h11H,2-10H2,1H3
InChIKeySPMXTEHWLPUPJA-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.48
Rot. Bonds1

About methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate

methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 71934992) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID71934992
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C13H22N2O3/c1-18-13(17)15-9-5-6-11(10-15)12(16)14-7-3-2-4-8-14/h11H,2-10H2,1H3
InChIKeySPMXTEHWLPUPJA-UHFFFAOYSA-N
XLogP1.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Bis(3-methylpiperidin-1-yl)pentane-1,5-dione
CID 4576685
N,N-Diethyl-1-methylpiperidine-3-carboxamide
CID 18785
Ketone, 1-methyl-3-piperidyl piperidino
CID 218423
Nipecotamide, N,N'-ethylenebis(N-butyl-1-methyl-
CID 218425
Methyl 3-(methylcarbamoyl)piperidine-1-carboxylate
CID 72023059
Methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
CID 84583376
1,6-bis(3-(N,N-diethylcarbamoyl)piperidino)hexane
CID 121329
3-Methyl-1-[3-(morpholinocarbonyl)piperidino]-1-butanone
CID 42885649
1-[3-(Morpholinocarbonyl)piperidino]-1-butanone
CID 42935457
2-Methyl-1-[3-(morpholinocarbonyl)piperidino]-1-propanone
CID 42935955
1-[3-(Morpholinocarbonyl)piperidino]-1-propanone
CID 42935956
2,2-Dimethyl-1-[3-(morpholin-4-ylcarbonyl)piperidin-1-yl]propan-1-one
CID 42940616

Frequently Asked Questions

What is the IUPAC name of methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate (CID 71934992) is methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate is COC(=O)N1CCCC(C(=O)N2CCCCC2)C1.
What is the InChIKey of methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is SPMXTEHWLPUPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-18-13(17)15-9-5-6-11(10-15)12(16)14-7-3-2-4-8-14/h11H,2-10H2,1H3.
What are the key properties of methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate?
methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 71934992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).