2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide

C19H29N3O2 — CID 51107206

IUPAC2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-4-9-20-19(24)16(3)21-10-12-22(13-11-21)18(23)14-17-7-5-15(2)6-8-17/h5-8,16H,4,9-14H2,1-3H3,(H,20,24)
InChIKeyHVTKGORPDZKWBM-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.60
Rot. Bonds6

About 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide

2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide (PubChem CID 51107206) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide
PubChem CID51107206
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-4-9-20-19(24)16(3)21-10-12-22(13-11-21)18(23)14-17-7-5-15(2)6-8-17/h5-8,16H,4,9-14H2,1-3H3,(H,20,24)
InChIKeyHVTKGORPDZKWBM-UHFFFAOYSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 46444743
1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110822794
2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 87017625
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110812994
3-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 119767921
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839030
2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 119314467
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 78877519
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide (CID 51107206) is 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)N1CCN(C(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide?
The InChIKey is HVTKGORPDZKWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-9-20-19(24)16(3)21-10-12-22(13-11-21)18(23)14-17-7-5-15(2)6-8-17/h5-8,16H,4,9-14H2,1-3H3,(H,20,24).
What are the key properties of 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide?
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 51107206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).