N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide

C22H28N4O3 — CID 55702168

IUPACN-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(N(C)C)cc3C)CC2)c1
InChIInChI=1S/C22H28N4O3/c1-16-14-18(24(2)3)8-9-20(16)23-22(28)26-12-10-25(11-13-26)21(27)17-6-5-7-19(15-17)29-4/h5-9,14-15H,10-13H2,1-4H3,(H,23,28)
InChIKeyDZOMLXLNHXZYHW-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.06
Rot. Bonds4

About N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide

N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide (PubChem CID 55702168) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide
PubChem CID55702168
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(N(C)C)cc3C)CC2)c1
InChIInChI=1S/C22H28N4O3/c1-16-14-18(24(2)3)8-9-20(16)23-22(28)26-12-10-25(11-13-26)21(27)17-6-5-7-19(15-17)29-4/h5-9,14-15H,10-13H2,1-4H3,(H,23,28)
InChIKeyDZOMLXLNHXZYHW-UHFFFAOYSA-N
XLogP3.06
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55747739
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate
CID 134801650
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide
CID 110365168
N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
CID 55696947
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113078833

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide (CID 55702168) is N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide is COc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(N(C)C)cc3C)CC2)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide?
The InChIKey is DZOMLXLNHXZYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16-14-18(24(2)3)8-9-20(16)23-22(28)26-12-10-25(11-13-26)21(27)17-6-5-7-19(15-17)29-4/h5-9,14-15H,10-13H2,1-4H3,(H,23,28).
What are the key properties of N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide?
N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 55702168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).