methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate

C14H24N2O3 — CID 79162947

IUPACmethyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-11-4-3-7-16(10-11)14(18)15-8-5-12(6-9-15)13(17)19-2/h11-12H,3-10H2,1-2H3
InChIKeyKXFJQIHKNFQESR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.72
Rot. Bonds1

About methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate

methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate (PubChem CID 79162947) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate
PubChem CID79162947
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-11-4-3-7-16(10-11)14(18)15-8-5-12(6-9-15)13(17)19-2/h11-12H,3-10H2,1-2H3
InChIKeyKXFJQIHKNFQESR-UHFFFAOYSA-N
XLogP1.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
CID 112732527
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575165
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
[4-(ethylamino)piperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79152580
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
methyl 1-[N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111252969
(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116657829
methyl 2-(3-methylpiperidin-1-yl)-2-oxoacetate
CID 75480937

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate (CID 79162947) is methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate?
The InChIKey is KXFJQIHKNFQESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-4-3-7-16(10-11)14(18)15-8-5-12(6-9-15)13(17)19-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate?
methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 79162947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).