N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide

C21H26N4O2 — CID 51116419

IUPACN-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C21H26N4O2/c1-3-20(26)23-19-10-9-17(15-16(19)2)22-21(27)25-13-11-24(12-14-25)18-7-5-4-6-8-18/h4-10,15H,3,11-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyWPUKXBRFDDWCBI-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.70
Rot. Bonds4

About N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide

N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 51116419) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide
PubChem CID51116419
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C21H26N4O2/c1-3-20(26)23-19-10-9-17(15-16(19)2)22-21(27)25-13-11-24(12-14-25)18-7-5-4-6-8-18/h4-10,15H,3,11-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyWPUKXBRFDDWCBI-UHFFFAOYSA-N
XLogP3.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide (CID 51116419) is N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide is CCC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1C.
What is the InChIKey of N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is WPUKXBRFDDWCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-20(26)23-19-10-9-17(15-16(19)2)22-21(27)25-13-11-24(12-14-25)18-7-5-4-6-8-18/h4-10,15H,3,11-14H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide?
N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 51116419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).