4-benzhydryl-N-propylpiperazine-1-carboxamide

C21H27N3O — CID 24820040

IUPAC4-benzhydryl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-2-13-22-21(25)24-16-14-23(15-17-24)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,22,25)
InChIKeyIRDNJMVWXBSPJN-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.51
Rot. Bonds5

About 4-benzhydryl-N-propylpiperazine-1-carboxamide

4-benzhydryl-N-propylpiperazine-1-carboxamide (PubChem CID 24820040) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-benzhydryl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-propylpiperazine-1-carboxamide
PubChem CID24820040
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-benzhydryl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-2-13-22-21(25)24-16-14-23(15-17-24)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,22,25)
InChIKeyIRDNJMVWXBSPJN-UHFFFAOYSA-N
XLogP3.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-propylpiperazine-1-carboxamide (CID 24820040) is 4-benzhydryl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-propylpiperazine-1-carboxamide?
The InChIKey is IRDNJMVWXBSPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-13-22-21(25)24-16-14-23(15-17-24)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,22,25).
What are the key properties of 4-benzhydryl-N-propylpiperazine-1-carboxamide?
4-benzhydryl-N-propylpiperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 24820040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).