dimethyl 2,6-di(piperidin-2-yl)heptanedioate

C19H34N2O4 — CID 24838598

IUPACdimethyl 2,6-di(piperidin-2-yl)heptanedioate
SMILESCOC(=O)C(CCCC(C(=O)OC)C1CCCCN1)C1CCCCN1
InChIInChI=1S/C19H34N2O4/c1-24-18(22)14(16-10-3-5-12-20-16)8-7-9-15(19(23)25-2)17-11-4-6-13-21-17/h14-17,20-21H,3-13H2,1-2H3
InChIKeyLRHRTNSCYLUVEN-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.02
Rot. Bonds8

About dimethyl 2,6-di(piperidin-2-yl)heptanedioate

dimethyl 2,6-di(piperidin-2-yl)heptanedioate (PubChem CID 24838598) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is dimethyl 2,6-di(piperidin-2-yl)heptanedioate.

Molecular Properties

Compound Namedimethyl 2,6-di(piperidin-2-yl)heptanedioate
PubChem CID24838598
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Namedimethyl 2,6-di(piperidin-2-yl)heptanedioate
SMILESCOC(=O)C(CCCC(C(=O)OC)C1CCCCN1)C1CCCCN1
InChIInChI=1S/C19H34N2O4/c1-24-18(22)14(16-10-3-5-12-20-16)8-7-9-15(19(23)25-2)17-11-4-6-13-21-17/h14-17,20-21H,3-13H2,1-2H3
InChIKeyLRHRTNSCYLUVEN-UHFFFAOYSA-N
XLogP2.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dimethyl 2,6-di(piperidin-2-yl)heptanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride
CID 24838597
dimethyl 2,7-di(piperidin-2-yl)octanedioate
CID 24840701
dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride
CID 24837362
methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
CID 10490732
methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52946039
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
2-pyrrolidin-2-ylbutanamide
CID 69095576
methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 118577691
methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 10587632
methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate
CID 10768332
methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 119709028

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-di(piperidin-2-yl)heptanedioate?
The IUPAC name of dimethyl 2,6-di(piperidin-2-yl)heptanedioate (CID 24838598) is dimethyl 2,6-di(piperidin-2-yl)heptanedioate.
What is the SMILES notation for dimethyl 2,6-di(piperidin-2-yl)heptanedioate?
The canonical SMILES for dimethyl 2,6-di(piperidin-2-yl)heptanedioate is COC(=O)C(CCCC(C(=O)OC)C1CCCCN1)C1CCCCN1.
What is the InChIKey of dimethyl 2,6-di(piperidin-2-yl)heptanedioate?
The InChIKey is LRHRTNSCYLUVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-24-18(22)14(16-10-3-5-12-20-16)8-7-9-15(19(23)25-2)17-11-4-6-13-21-17/h14-17,20-21H,3-13H2,1-2H3.
What are the key properties of dimethyl 2,6-di(piperidin-2-yl)heptanedioate?
dimethyl 2,6-di(piperidin-2-yl)heptanedioate has a molecular weight of 354.49 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-di(piperidin-2-yl)heptanedioate is sourced from PubChem (CID 24838598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).