N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide

C21H25N3O2 — CID 110602623

IUPACN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O2/c1-23-13-15-24(16-14-23)21(26)18-8-10-19(11-9-18)22-20(25)12-7-17-5-3-2-4-6-17/h2-6,8-11H,7,12-16H2,1H3,(H,22,25)
InChIKeyGIFKVURBLTUEKF-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.65
Rot. Bonds5

About N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide (PubChem CID 110602623) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
PubChem CID110602623
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O2/c1-23-13-15-24(16-14-23)21(26)18-8-10-19(11-9-18)22-20(25)12-7-17-5-3-2-4-6-17/h2-6,8-11H,7,12-16H2,1H3,(H,22,25)
InChIKeyGIFKVURBLTUEKF-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
CID 110314943
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 132685123
N-[4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839493
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968168
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 99968197
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
2-[benzyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967333

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide (CID 110602623) is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide is CN1CCN(C(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide?
The InChIKey is GIFKVURBLTUEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23-13-15-24(16-14-23)21(26)18-8-10-19(11-9-18)22-20(25)12-7-17-5-3-2-4-6-17/h2-6,8-11H,7,12-16H2,1H3,(H,22,25).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide?
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 110602623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).