N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

C24H33N5O3 — CID 55794733

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)CC2)cc1
InChIInChI=1S/C24H33N5O3/c1-18-16-29(17-19(2)32-18)23-9-4-20(14-25-23)15-26-24(30)28-12-10-27(11-13-28)21-5-7-22(31-3)8-6-21/h4-9,14,18-19H,10-13,15-17H2,1-3H3,(H,26,30)
InChIKeyLVLIBQLMNDXEBR-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.74
Rot. Bonds5

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 55794733) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID55794733
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)CC2)cc1
InChIInChI=1S/C24H33N5O3/c1-18-16-29(17-19(2)32-18)23-9-4-20(14-25-23)15-26-24(30)28-12-10-27(11-13-28)21-5-7-22(31-3)8-6-21/h4-9,14,18-19H,10-13,15-17H2,1-3H3,(H,26,30)
InChIKeyLVLIBQLMNDXEBR-UHFFFAOYSA-N
XLogP2.74
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 55794733) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)CC2)cc1.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is LVLIBQLMNDXEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-18-16-29(17-19(2)32-18)23-9-4-20(14-25-23)15-26-24(30)28-12-10-27(11-13-28)21-5-7-22(31-3)8-6-21/h4-9,14,18-19H,10-13,15-17H2,1-3H3,(H,26,30).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55794733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).