6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide

C19H23ClN2O3 — CID 9473761

IUPAC6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C19H23ClN2O3/c1-13-5-2-3-9-22(13)10-4-8-21-19(24)18-12-16(23)15-11-14(20)6-7-17(15)25-18/h6-7,11-13H,2-5,8-10H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyDIXDIGUYNWFNND-CYBMUJFWSA-N
MW362.86 g/mol
LogP3.44
Rot. Bonds5

About 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide

6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide (PubChem CID 9473761) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide
PubChem CID9473761
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C19H23ClN2O3/c1-13-5-2-3-9-22(13)10-4-8-21-19(24)18-12-16(23)15-11-14(20)6-7-17(15)25-18/h6-7,11-13H,2-5,8-10H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyDIXDIGUYNWFNND-CYBMUJFWSA-N
XLogP3.44
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide
CID 9472859
4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide
CID 9473011
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide
CID 9472621
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 58945427
2-(1-aminoethyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3868923
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 55725020
1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3514821
6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide (CID 9473761) is 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide is C[C@@H]1CCCCN1CCCNC(=O)c1cc(=O)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide?
The InChIKey is DIXDIGUYNWFNND-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-13-5-2-3-9-22(13)10-4-8-21-19(24)18-12-16(23)15-11-14(20)6-7-17(15)25-18/h6-7,11-13H,2-5,8-10H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide?
6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 9473761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).