N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide

C19H24N2O4 — CID 111112743

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide
SMILESCC1CCN(CC(O)CNC(=O)c2cc3ccccc3oc2=O)CC1
InChIInChI=1S/C19H24N2O4/c1-13-6-8-21(9-7-13)12-15(22)11-20-18(23)16-10-14-4-2-3-5-17(14)25-19(16)24/h2-5,10,13,15,22H,6-9,11-12H2,1H3,(H,20,23)
InChIKeyFDMUTEAVANQHDB-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.62
Rot. Bonds5

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide (PubChem CID 111112743) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide
PubChem CID111112743
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide
SMILESCC1CCN(CC(O)CNC(=O)c2cc3ccccc3oc2=O)CC1
InChIInChI=1S/C19H24N2O4/c1-13-6-8-21(9-7-13)12-15(22)11-20-18(23)16-10-14-4-2-3-5-17(14)25-19(16)24/h2-5,10,13,15,22H,6-9,11-12H2,1H3,(H,20,23)
InChIKeyFDMUTEAVANQHDB-UHFFFAOYSA-N
XLogP1.62
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one
CID 25156898
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111112721
2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
CID 24624978
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methylpyridine-2-carboxamide
CID 111112729
2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 95304469
2-cyclobutyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111427408
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 42910719
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 51628649
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 26835109
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 20962582

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide (CID 111112743) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide is CC1CCN(CC(O)CNC(=O)c2cc3ccccc3oc2=O)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide?
The InChIKey is FDMUTEAVANQHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-6-8-21(9-7-13)12-15(22)11-20-18(23)16-10-14-4-2-3-5-17(14)25-19(16)24/h2-5,10,13,15,22H,6-9,11-12H2,1H3,(H,20,23).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 111112743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).