N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C37H36N2O3 — CID 19972443

IUPACN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCC(c4ccccc4)(c4ccccc4)CC3)cccc2c1=O
InChIInChI=1S/C37H36N2O3/c1-27-33(40)31-19-11-20-32(35(31)42-34(27)28-13-5-2-6-14-28)36(41)38-23-12-24-39-25-21-37(22-26-39,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-11,13-20H,12,21-26H2,1H3,(H,38,41)
InChIKeyNIMDSPINUAFMMC-UHFFFAOYSA-N
MW556.71 g/mol
LogP6.97
Rot. Bonds8

About N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 19972443) has the molecular formula C37H36N2O3 and a molecular weight of 556.71 g/mol. Its IUPAC name is N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID19972443
Molecular FormulaC37H36N2O3
Molecular Weight556.71 g/mol
Exact Mass556.27
IUPAC NameN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCC(c4ccccc4)(c4ccccc4)CC3)cccc2c1=O
InChIInChI=1S/C37H36N2O3/c1-27-33(40)31-19-11-20-32(35(31)42-34(27)28-13-5-2-6-14-28)36(41)38-23-12-24-39-25-21-37(22-26-39,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-11,13-20H,12,21-26H2,1H3,(H,38,41)
InChIKeyNIMDSPINUAFMMC-UHFFFAOYSA-N
XLogP6.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
CID 10254630
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
3-piperidin-1-ylpropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 13324430
bis(2-(4-benzoylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxochromene-8-carboxamide);methanesulfonic acid;hydrate
CID 173328171
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
N-[3-[2-(2-methoxyphenoxy)ethylamino]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972581
2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18967
3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 60590384
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
6-(dimethylamino)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972731

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 19972443) is N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCC(c4ccccc4)(c4ccccc4)CC3)cccc2c1=O.
What is the InChIKey of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is NIMDSPINUAFMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2O3/c1-27-33(40)31-19-11-20-32(35(31)42-34(27)28-13-5-2-6-14-28)36(41)38-23-12-24-39-25-21-37(22-26-39,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-11,13-20H,12,21-26H2,1H3,(H,38,41).
What are the key properties of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 556.71 g/mol, XLogP of 6.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 19972443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).