4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide

C26H34N4O4 — CID 132779834

IUPAC4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3CN3CCOCC3)C(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C26H34N4O4/c1-27(2)26(32)24-19-29(21-8-10-22(33-3)11-9-21)12-13-30(24)25(31)23-7-5-4-6-20(23)18-28-14-16-34-17-15-28/h4-11,24H,12-19H2,1-3H3
InChIKeyCUNLKQMMMWFMEY-UHFFFAOYSA-N
MW466.58 g/mol
LogP1.95
Rot. Bonds6

About 4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide

4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide (PubChem CID 132779834) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide
PubChem CID132779834
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccccc3CN3CCOCC3)C(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C26H34N4O4/c1-27(2)26(32)24-19-29(21-8-10-22(33-3)11-9-21)12-13-30(24)25(31)23-7-5-4-6-20(23)18-28-14-16-34-17-15-28/h4-11,24H,12-19H2,1-3H3
InChIKeyCUNLKQMMMWFMEY-UHFFFAOYSA-N
XLogP1.95
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 132780211
(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 129455255
1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 132779594
CID 131887032
CID 131887032
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
(4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate
CID 14857757
(E)-N-methoxy-1-[2-(morpholin-4-ylmethyl)phenyl]ethanimine
CID 90882108
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688472
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide (CID 132779834) is 4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide is COc1ccc(N2CCN(C(=O)c3ccccc3CN3CCOCC3)C(C(=O)N(C)C)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide?
The InChIKey is CUNLKQMMMWFMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-27(2)26(32)24-19-29(21-8-10-22(33-3)11-9-21)12-13-30(24)25(31)23-7-5-4-6-20(23)18-28-14-16-34-17-15-28/h4-11,24H,12-19H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide?
4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(morpholin-4-ylmethyl)benzoyl]piperazine-2-carboxamide is sourced from PubChem (CID 132779834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).