4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide

C23H30N4O3 — CID 51115408

IUPAC4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1
InChIInChI=1S/C23H30N4O3/c1-18-17-19(25-13-15-30-16-14-25)7-8-20(18)24-23(28)27-11-9-26(10-12-27)21-5-3-4-6-22(21)29-2/h3-8,17H,9-16H2,1-2H3,(H,24,28)
InChIKeyAMGHNUDMSBBERW-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.19
Rot. Bonds4

About 4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide

4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide (PubChem CID 51115408) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
PubChem CID51115408
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1
InChIInChI=1S/C23H30N4O3/c1-18-17-19(25-13-15-30-16-14-25)7-8-20(18)24-23(28)27-11-9-26(10-12-27)21-5-3-4-6-22(21)29-2/h3-8,17H,9-16H2,1-2H3,(H,24,28)
InChIKeyAMGHNUDMSBBERW-UHFFFAOYSA-N
XLogP3.19
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111468
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113111475
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
N-[2-(dimethylamino)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71941690
N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 78874638
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318
N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 71807558
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]acetamide
CID 44590474

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide (CID 51115408) is 4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The InChIKey is AMGHNUDMSBBERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-18-17-19(25-13-15-30-16-14-25)7-8-20(18)24-23(28)27-11-9-26(10-12-27)21-5-3-4-6-22(21)29-2/h3-8,17H,9-16H2,1-2H3,(H,24,28).
What are the key properties of 4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51115408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).