N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide

C20H26N2O3 — CID 19761216

IUPACN-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(C)C1CCN(CCc2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C20H26N2O3/c1-3-20(24)21(2)15-8-11-22(12-9-15)13-10-16-14-18(23)17-6-4-5-7-19(17)25-16/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyUYVWNHAUCOMGKD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.67
Rot. Bonds5

About N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide

N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide (PubChem CID 19761216) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide
PubChem CID19761216
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(C)C1CCN(CCc2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C20H26N2O3/c1-3-20(24)21(2)15-8-11-22(12-9-15)13-10-16-14-18(23)17-6-4-5-7-19(17)25-16/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyUYVWNHAUCOMGKD-UHFFFAOYSA-N
XLogP2.67
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-[(4-oxochromen-2-yl)methyl]piperidin-4-yl]butanamide
CID 19761205
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide
CID 42509695
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
2-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]chromen-4-one
CID 10740213
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
2-(hydroxymethyl)chromen-4-one
CID 12536095
N-cyclohexyl-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-methylacetamide
CID 53334656
N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide
CID 67858340
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-benzofuran-2-carboxylic acid
CID 63164375
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide
CID 175527345

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide (CID 19761216) is N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide is CCC(=O)N(C)C1CCN(CCc2cc(=O)c3ccccc3o2)CC1.
What is the InChIKey of N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide?
The InChIKey is UYVWNHAUCOMGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-20(24)21(2)15-8-11-22(12-9-15)13-10-16-14-18(23)17-6-4-5-7-19(17)25-16/h4-7,14-15H,3,8-13H2,1-2H3.
What are the key properties of N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide?
N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 19761216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).