N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide

About N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide (PubChem CID 58733079) has the molecular formula C38H39ClN4O6 and a molecular weight of 683.21 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide.

Molecular Properties

Compound Name	N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide
PubChem CID	58733079
Molecular Formula	C38H39ClN4O6
Molecular Weight	683.21 g/mol
Exact Mass	682.26
IUPAC Name	N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide
SMILES	C=CCOc1ccc2oc(C(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)N3CCN(c4ccccc4C(=O)N4CCCCC4)CC3)cc(=O)c2c1
InChI	InChI=1S/C38H39ClN4O6/c1-2-22-48-28-14-15-34-30(24-28)33(44)25-35(49-34)36(45)40-31(23-26-10-12-27(39)13-11-26)38(47)43-20-18-41(19-21-43)32-9-5-4-8-29(32)37(46)42-16-6-3-7-17-42/h2,4-5,8-15,24-25,31H,1,3,6-7,16-23H2,(H,40,45)/t31-/m1/s1
InChIKey	QSYQNGQNNNXLIZ-WJOKGBTCSA-N
XLogP	5.33
TPSA	112.40 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	49
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.21
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide?

The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide (CID 58733079) is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide.

What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide?

The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide is C=CCOc1ccc2oc(C(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)N3CCN(c4ccccc4C(=O)N4CCCCC4)CC3)cc(=O)c2c1.

What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide?

The InChIKey is QSYQNGQNNNXLIZ-WJOKGBTCSA-N. The full InChI is InChI=1S/C38H39ClN4O6/c1-2-22-48-28-14-15-34-30(24-28)33(44)25-35(49-34)36(45)40-31(23-26-10-12-27(39)13-11-26)38(47)43-20-18-41(19-21-43)32-9-5-4-8-29(32)37(46)42-16-6-3-7-17-42/h2,4-5,8-15,24-25,31H,1,3,6-7,16-23H2,(H,40,45)/t31-/m1/s1.

What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide?

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide has a molecular weight of 683.21 g/mol, XLogP of 5.33, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-prop-2-enoxychromene-2-carboxamide is sourced from PubChem (CID 58733079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).