N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide

C20H30N2O2 — CID 71880004

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2(c3cccc(C)c3)CC2)CC1
InChIInChI=1S/C20H30N2O2/c1-16-4-3-5-18(14-16)20(8-9-20)19(23)21-15-17-6-10-22(11-7-17)12-13-24-2/h3-5,14,17H,6-13,15H2,1-2H3,(H,21,23)
InChIKeyOYZOQRJDPCSOHB-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.50
Rot. Bonds7

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 71880004) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID71880004
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2(c3cccc(C)c3)CC2)CC1
InChIInChI=1S/C20H30N2O2/c1-16-4-3-5-18(14-16)20(8-9-20)19(23)21-15-17-6-10-22(11-7-17)12-13-24-2/h3-5,14,17H,6-13,15H2,1-2H3,(H,21,23)
InChIKeyOYZOQRJDPCSOHB-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-Methylphenyl)-1-morpholin-4-ylethanone
CID 6470636
2-(Aminomethyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 13718739
2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 889499
2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
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N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide (CID 71880004) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide is COCCN1CCC(CNC(=O)C2(c3cccc(C)c3)CC2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is OYZOQRJDPCSOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-4-3-5-18(14-16)20(8-9-20)19(23)21-15-17-6-10-22(11-7-17)12-13-24-2/h3-5,14,17H,6-13,15H2,1-2H3,(H,21,23).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71880004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).