3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C22H29N3O — CID 4993779

IUPAC3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2C)cc1
InChIInChI=1S/C22H29N3O/c1-16(2)19-7-9-20(10-8-19)23-22(26)24-13-14-25(18(4)15-24)21-11-5-17(3)6-12-21/h5-12,16,18H,13-15H2,1-4H3,(H,23,26)
InChIKeyAQIMESDQXUFZKT-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.86
Rot. Bonds3

About 3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 4993779) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID4993779
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2C)cc1
InChIInChI=1S/C22H29N3O/c1-16(2)19-7-9-20(10-8-19)23-22(26)24-13-14-25(18(4)15-24)21-11-5-17(3)6-12-21/h5-12,16,18H,13-15H2,1-4H3,(H,23,26)
InChIKeyAQIMESDQXUFZKT-UHFFFAOYSA-N
XLogP4.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 3814610
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
(3R)-3-methyl-4-(4-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 2207731
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-[4-[[5-methoxy-2-(4-propan-2-ylphenyl)benzoyl]amino]phenyl]-3-methylpiperazine-1-carboxamide
CID 91420969
N-(4-ethylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide
CID 17299128
3-methyl-4-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17381843
(3R)-N-butyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 40631537
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2957595
(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2211440

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 4993779) is 3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is AQIMESDQXUFZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16(2)19-7-9-20(10-8-19)23-22(26)24-13-14-25(18(4)15-24)21-11-5-17(3)6-12-21/h5-12,16,18H,13-15H2,1-4H3,(H,23,26).
What are the key properties of 3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4993779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).