methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate

C16H30N2O2 — CID 115618301

IUPACmethyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate
SMILESCCCCC(C(=O)OC)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-4-8-15(16(19)20-2)18-12-9-14(13-18)17-10-6-5-7-11-17/h14-15H,3-13H2,1-2H3
InChIKeyIIKGWBOBAZBJOA-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.28
Rot. Bonds6

About methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate

methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate (PubChem CID 115618301) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate.

Molecular Properties

Compound Namemethyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate
PubChem CID115618301
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate
SMILESCCCCC(C(=O)OC)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-4-8-15(16(19)20-2)18-12-9-14(13-18)17-10-6-5-7-11-17/h14-15H,3-13H2,1-2H3
InChIKeyIIKGWBOBAZBJOA-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-propan-2-ylpyrrolidin-1-yl)hexanoate
CID 112698247
methyl 2-(4-methylazepan-1-yl)hexanoate
CID 112695834
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate
CID 113246249
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
CID 78964155
methyl 2-[3-(trifluoromethyl)pyrrolidin-1-yl]hexanoate
CID 113341341
2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170614
methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 79413832
methyl 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoate
CID 115722973
methyl 2-(4-methylpiperazin-1-yl)hexanoate
CID 115608220
methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate
CID 112697491
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate
CID 113373633
methyl 2-(4-ethylpiperazin-1-yl)hexanoate
CID 115608216

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate?
The IUPAC name of methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate (CID 115618301) is methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate.
What is the SMILES notation for methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate?
The canonical SMILES for methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate is CCCCC(C(=O)OC)N1CCC(N2CCCCC2)C1.
What is the InChIKey of methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate?
The InChIKey is IIKGWBOBAZBJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-4-8-15(16(19)20-2)18-12-9-14(13-18)17-10-6-5-7-11-17/h14-15H,3-13H2,1-2H3.
What are the key properties of methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate?
methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate has a molecular weight of 282.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate is sourced from PubChem (CID 115618301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).