N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide

C17H20N2O3 — CID 2425838

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C17H20N2O3/c1-18-9-7-12(8-10-18)19(2)17(21)16-11-14(20)13-5-3-4-6-15(13)22-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPUUKJMCLIVFFIY-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.96
Rot. Bonds2

About N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide (PubChem CID 2425838) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide
PubChem CID2425838
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C17H20N2O3/c1-18-9-7-12(8-10-18)19(2)17(21)16-11-14(20)13-5-3-4-6-15(13)22-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPUUKJMCLIVFFIY-UHFFFAOYSA-N
XLogP1.96
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone
CID 35751
Ketocaine
CID 68946
Tcmdc-123621
CID 2400619
2-{4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-4h-Chromen-4-One
CID 46742375
N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide
CID 2349172
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate
CID 2356198
2-[2-Oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethoxy]benzamide
CID 2474690
2-[2-[Bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide
CID 2601512
Ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3600592
N-[(2-methoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 4882049
6-ethyl-2-[(4-methylpiperazin-1-yl)carbonyl]-4H-chromen-4-one
CID 4898924
6,8-dimethyl-2-[(4-methylpiperazin-1-yl)carbonyl]-4H-chromen-4-one
CID 4974607

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide (CID 2425838) is N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide is CN1CCC(N(C)C(=O)c2cc(=O)c3ccccc3o2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide?
The InChIKey is PUUKJMCLIVFFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-18-9-7-12(8-10-18)19(2)17(21)16-11-14(20)13-5-3-4-6-15(13)22-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 2425838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).