methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate

C14H24N2O3 — CID 63121313

IUPACmethyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2(C)CCNCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(5-7-15-8-6-14)13(18)16-9-3-11(4-10-16)12(17)19-2/h11,15H,3-10H2,1-2H3
InChIKeyPKKFRNXYQKIXSJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.79
Rot. Bonds2

About methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate

methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 63121313) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID63121313
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2(C)CCNCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(5-7-15-8-6-14)13(18)16-9-3-11(4-10-16)12(17)19-2/h11,15H,3-10H2,1-2H3
InChIKeyPKKFRNXYQKIXSJ-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 107217447
2-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79608498
N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]propanamide
CID 63122079
N,N-dimethyl-1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 55164567
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418
methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
CID 60718203
methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate
CID 80547378
(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121475
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate (CID 63121313) is methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2(C)CCNCC2)CC1.
What is the InChIKey of methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is PKKFRNXYQKIXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(5-7-15-8-6-14)13(18)16-9-3-11(4-10-16)12(17)19-2/h11,15H,3-10H2,1-2H3.
What are the key properties of methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 63121313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).