4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide

C22H28ClN3O — CID 44573968

IUPAC4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C22H28ClN3O/c1-16(2)24-22(27)26-14-12-25(13-15-26)21(18-8-10-19(23)11-9-18)20-7-5-4-6-17(20)3/h4-11,16,21H,12-15H2,1-3H3,(H,24,27)
InChIKeySMAJIXOOJCUMFD-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.47
Rot. Bonds4

About 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 44573968) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID44573968
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C22H28ClN3O/c1-16(2)24-22(27)26-14-12-25(13-15-26)21(18-8-10-19(23)11-9-18)20-7-5-4-6-17(20)3/h4-11,16,21H,12-15H2,1-3H3,(H,24,27)
InChIKeySMAJIXOOJCUMFD-UHFFFAOYSA-N
XLogP4.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 42643589
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CID 42647178
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CID 44176908
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CID 44177373

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 44573968) is 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide is Cc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is SMAJIXOOJCUMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-16(2)24-22(27)26-14-12-25(13-15-26)21(18-8-10-19(23)11-9-18)20-7-5-4-6-17(20)3/h4-11,16,21H,12-15H2,1-3H3,(H,24,27).
What are the key properties of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 385.94 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 44573968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).