N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide

C22H29N3O — CID 109022884

IUPACN-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-2-24(19-20-9-5-3-6-10-20)22(26)13-14-23-15-17-25(18-16-23)21-11-7-4-8-12-21/h3-12H,2,13-19H2,1H3
InChIKeyCZYLJTUJCBHOJQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.25
Rot. Bonds7

About N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide

N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 109022884) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID109022884
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-2-24(19-20-9-5-3-6-10-20)22(26)13-14-23-15-17-25(18-16-23)21-11-7-4-8-12-21/h3-12H,2,13-19H2,1H3
InChIKeyCZYLJTUJCBHOJQ-UHFFFAOYSA-N
XLogP3.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate
CID 109022893
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(3R,4R)-1-[3-[benzyl(ethyl)amino]-3-oxopropyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
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3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-benzyl-N-ethylpropanamide
CID 113131962
N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
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N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
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2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide
CID 122556914
N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136754
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide (CID 109022884) is N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide is CCN(Cc1ccccc1)C(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is CZYLJTUJCBHOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-24(19-20-9-5-3-6-10-20)22(26)13-14-23-15-17-25(18-16-23)21-11-7-4-8-12-21/h3-12H,2,13-19H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide?
N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109022884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).