methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane

C19H30N2O4 — CID 142043170

IUPACmethyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane
SMILESCC(C)C.COC(=O)c1ccc(OC2CCN(C(=O)CN)CC2)cc1
InChIInChI=1S/C15H20N2O4.C4H10/c1-20-15(19)11-2-4-12(5-3-11)21-13-6-8-17(9-7-13)14(18)10-16;1-4(2)3/h2-5,13H,6-10,16H2,1H3;4H,1-3H3
InChIKeyOATFEJQZHKQHIK-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.46
Rot. Bonds4

About methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane

methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane (PubChem CID 142043170) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane.

Molecular Properties

Compound Namemethyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane
PubChem CID142043170
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namemethyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane
SMILESCC(C)C.COC(=O)c1ccc(OC2CCN(C(=O)CN)CC2)cc1
InChIInChI=1S/C15H20N2O4.C4H10/c1-20-15(19)11-2-4-12(5-3-11)21-13-6-8-17(9-7-13)14(18)10-16;1-4(2)3/h2-5,13H,6-10,16H2,1H3;4H,1-3H3
InChIKeyOATFEJQZHKQHIK-UHFFFAOYSA-N
XLogP2.46
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate
CID 10905377
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
4-amino-1-[4-[4-(hydroxymethyl)phenoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 68594639
methyl 4-(3-aminocyclobutyl)oxybenzoate
CID 156504136
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
CID 162773529
2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858856
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
CID 42509021

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane?
The IUPAC name of methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane (CID 142043170) is methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane.
What is the SMILES notation for methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane?
The canonical SMILES for methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane is CC(C)C.COC(=O)c1ccc(OC2CCN(C(=O)CN)CC2)cc1.
What is the InChIKey of methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane?
The InChIKey is OATFEJQZHKQHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4.C4H10/c1-20-15(19)11-2-4-12(5-3-11)21-13-6-8-17(9-7-13)14(18)10-16;1-4(2)3/h2-5,13H,6-10,16H2,1H3;4H,1-3H3.
What are the key properties of methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane?
methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane has a molecular weight of 350.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane is sourced from PubChem (CID 142043170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).