3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide

C21H28N4O — CID 119954238

IUPAC3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
SMILESCCN1CCN(c2ccccc2NC(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C21H28N4O/c1-2-24-12-14-25(15-13-24)20-11-7-6-10-19(20)23-21(26)16-18(22)17-8-4-3-5-9-17/h3-11,18H,2,12-16,22H2,1H3,(H,23,26)
InChIKeyVYDKHVVODLQHFM-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.86
Rot. Bonds6

About 3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide

3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide (PubChem CID 119954238) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
PubChem CID119954238
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
SMILESCCN1CCN(c2ccccc2NC(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C21H28N4O/c1-2-24-12-14-25(15-13-24)20-11-7-6-10-19(20)23-21(26)16-18(22)17-8-4-3-5-9-17/h3-11,18H,2,12-16,22H2,1H3,(H,23,26)
InChIKeyVYDKHVVODLQHFM-UHFFFAOYSA-N
XLogP2.86
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride
CID 119953315
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901051
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3889301
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55640232
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901029
N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119950213
(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47017047
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 119901048

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide (CID 119954238) is 3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide is CCN1CCN(c2ccccc2NC(=O)CC(N)c2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The InChIKey is VYDKHVVODLQHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-24-12-14-25(15-13-24)20-11-7-6-10-19(20)23-21(26)16-18(22)17-8-4-3-5-9-17/h3-11,18H,2,12-16,22H2,1H3,(H,23,26).
What are the key properties of 3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119954238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).