1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride

C25H28ClNO4 — CID 3070434

IUPAC1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OC(C)CN3CCCCC3)cccc2c1=O.Cl
InChIInChI=1S/C25H27NO4.ClH/c1-17(16-26-14-7-4-8-15-26)29-25(28)21-13-9-12-20-22(27)18(2)23(30-24(20)21)19-10-5-3-6-11-19;/h3,5-6,9-13,17H,4,7-8,14-16H2,1-2H3;1H
InChIKeyRBBVSTUTCNTARR-UHFFFAOYSA-N
MW441.96 g/mol
LogP5.22
Rot. Bonds5

About 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride

1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride (PubChem CID 3070434) has the molecular formula C25H28ClNO4 and a molecular weight of 441.96 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
PubChem CID3070434
Molecular FormulaC25H28ClNO4
Molecular Weight441.96 g/mol
Exact Mass441.17
IUPAC Name1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OC(C)CN3CCCCC3)cccc2c1=O.Cl
InChIInChI=1S/C25H27NO4.ClH/c1-17(16-26-14-7-4-8-15-26)29-25(28)21-13-9-12-20-22(27)18(2)23(30-24(20)21)19-10-5-3-6-11-19;/h3,5-6,9-13,17H,4,7-8,14-16H2,1-2H3;1H
InChIKeyRBBVSTUTCNTARR-UHFFFAOYSA-N
XLogP5.22
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.96
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride 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

1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 3070435
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 7582643
3-piperidin-1-ylpropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 13324430
3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid;1-piperidin-1-ylethanol;hydrochloride
CID 23615729
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
CID 2928894
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 41078717
3-(2-methylpiperidin-1-yl)propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
CID 3070419
2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18967
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
2-piperidin-1-ylethyl 6-bromo-3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
CID 13336001
2-methylprop-2-enyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18098557

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride (CID 3070434) is 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride is Cc1c(-c2ccccc2)oc2c(C(=O)OC(C)CN3CCCCC3)cccc2c1=O.Cl.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride?
The InChIKey is RBBVSTUTCNTARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4.ClH/c1-17(16-26-14-7-4-8-15-26)29-25(28)21-13-9-12-20-22(27)18(2)23(30-24(20)21)19-10-5-3-6-11-19;/h3,5-6,9-13,17H,4,7-8,14-16H2,1-2H3;1H.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride?
1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride has a molecular weight of 441.96 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride is sourced from PubChem (CID 3070434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).