cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate

C22H34N2O2 — CID 145377876

IUPACcyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate
SMILESC1CC1.COC(=O)C(C)Cc1ccc2c(c1)NC(C1CCNCC1)CC2
InChIInChI=1S/C19H28N2O2.C3H6/c1-13(19(22)23-2)11-14-3-4-15-5-6-17(21-18(15)12-14)16-7-9-20-10-8-16;1-2-3-1/h3-4,12-13,16-17,20-21H,5-11H2,1-2H3;1-3H2
InChIKeyNLONOIHXHDFAGK-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.93
Rot. Bonds4

About cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate

cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate (PubChem CID 145377876) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate.

Molecular Properties

Compound Namecyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate
PubChem CID145377876
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Namecyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate
SMILESC1CC1.COC(=O)C(C)Cc1ccc2c(c1)NC(C1CCNCC1)CC2
InChIInChI=1S/C19H28N2O2.C3H6/c1-13(19(22)23-2)11-14-3-4-15-5-6-17(21-18(15)12-14)16-7-9-20-10-8-16;1-2-3-1/h3-4,12-13,16-17,20-21H,5-11H2,1-2H3;1-3H2
InChIKeyNLONOIHXHDFAGK-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
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CID 145377850
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CID 144899407
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methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757
methyl 3-[2-(3-formyl-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145016023
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
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methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 3-[1-[2-[3,5-bis(trifluoromethyl)phenyl]ethylamino]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanoate
CID 167070212
cyclopropane;methyl 3-[2-(4-aminocyclopent-2-en-1-yl)-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 142371128

Frequently Asked Questions

What is the IUPAC name of cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate?
The IUPAC name of cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate (CID 145377876) is cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate.
What is the SMILES notation for cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate?
The canonical SMILES for cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate is C1CC1.COC(=O)C(C)Cc1ccc2c(c1)NC(C1CCNCC1)CC2.
What is the InChIKey of cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate?
The InChIKey is NLONOIHXHDFAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.C3H6/c1-13(19(22)23-2)11-14-3-4-15-5-6-17(21-18(15)12-14)16-7-9-20-10-8-16;1-2-3-1/h3-4,12-13,16-17,20-21H,5-11H2,1-2H3;1-3H2.
What are the key properties of cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate?
cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate has a molecular weight of 358.53 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate is sourced from PubChem (CID 145377876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).