methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate

C23H31N3O2 — CID 123198908

IUPACmethyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate
SMILESCCc1ccc(-c2cccc(N3CCC(NCC(=O)OC)CC3)n2)cc1CC
InChIInChI=1S/C23H31N3O2/c1-4-17-9-10-19(15-18(17)5-2)21-7-6-8-22(25-21)26-13-11-20(12-14-26)24-16-23(27)28-3/h6-10,15,20,24H,4-5,11-14,16H2,1-3H3
InChIKeyKXDJBGXZRLIBEK-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.60
Rot. Bonds7

About methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate

methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate (PubChem CID 123198908) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate
PubChem CID123198908
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Namemethyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate
SMILESCCc1ccc(-c2cccc(N3CCC(NCC(=O)OC)CC3)n2)cc1CC
InChIInChI=1S/C23H31N3O2/c1-4-17-9-10-19(15-18(17)5-2)21-7-6-8-22(25-21)26-13-11-20(12-14-26)24-16-23(27)28-3/h6-10,15,20,24H,4-5,11-14,16H2,1-3H3
InChIKeyKXDJBGXZRLIBEK-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate (CID 123198908) is methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate is CCc1ccc(-c2cccc(N3CCC(NCC(=O)OC)CC3)n2)cc1CC.
What is the InChIKey of methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate?
The InChIKey is KXDJBGXZRLIBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-17-9-10-19(15-18(17)5-2)21-7-6-8-22(25-21)26-13-11-20(12-14-26)24-16-23(27)28-3/h6-10,15,20,24H,4-5,11-14,16H2,1-3H3.
What are the key properties of methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate?
methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate has a molecular weight of 381.52 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[6-(3,4-diethylphenyl)-2-pyridinyl]piperidin-4-yl]amino]acetate is sourced from PubChem (CID 123198908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).