N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide

C23H32N6O3 — CID 135375947

IUPACN-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3ccc(N4CCOCC4)cc3C)CC2)c1
InChIInChI=1S/C23H32N6O3/c1-18-14-21(27-10-12-32-13-11-27)5-4-20(18)16-26-6-8-28(9-7-26)23(31)29-17-22(15-24-29)25(3)19(2)30/h4-5,14-15,17H,6-13,16H2,1-3H3
InChIKeyWEFPYMAMOVSNQY-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide

N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375947) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375947
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC NameN-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3ccc(N4CCOCC4)cc3C)CC2)c1
InChIInChI=1S/C23H32N6O3/c1-18-14-21(27-10-12-32-13-11-27)5-4-20(18)16-26-6-8-28(9-7-26)23(31)29-17-22(15-24-29)25(3)19(2)30/h4-5,14-15,17H,6-13,16H2,1-3H3
InChIKeyWEFPYMAMOVSNQY-UHFFFAOYSA-N
XLogP1.80
TPSA74.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide (CID 135375947) is N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3ccc(N4CCOCC4)cc3C)CC2)c1.
What is the InChIKey of N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is WEFPYMAMOVSNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-18-14-21(27-10-12-32-13-11-27)5-4-20(18)16-26-6-8-28(9-7-26)23(31)29-17-22(15-24-29)25(3)19(2)30/h4-5,14-15,17H,6-13,16H2,1-3H3.
What are the key properties of N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 440.55 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).