N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide

C21H25N3O2 — CID 1268380

IUPACN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-2-20(25)22-19-11-7-6-10-18(19)21(26)24-14-12-23(13-15-24)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25)
InChIKeyDMDUCEOWEXKMHS-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.99
Rot. Bonds5

About N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide

N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 1268380) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID1268380
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-2-20(25)22-19-11-7-6-10-18(19)21(26)24-14-12-23(13-15-24)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25)
InChIKeyDMDUCEOWEXKMHS-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide (CID 1268380) is N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide is CCC(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is DMDUCEOWEXKMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-20(25)22-19-11-7-6-10-18(19)21(26)24-14-12-23(13-15-24)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide?
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 1268380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).