1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione

C14H18ClN3O2 — CID 79936117

IUPAC1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccc(N)cc2Cl)CC1=O
InChIInChI=1S/C14H18ClN3O2/c1-2-5-17-8-14(20)18(9-13(17)19)7-10-3-4-11(16)6-12(10)15/h3-4,6H,2,5,7-9,16H2,1H3
InChIKeySGDYACDIUZGDON-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.50
Rot. Bonds4

About 1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione

1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione (PubChem CID 79936117) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione
PubChem CID79936117
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccc(N)cc2Cl)CC1=O
InChIInChI=1S/C14H18ClN3O2/c1-2-5-17-8-14(20)18(9-13(17)19)7-10-3-4-11(16)6-12(10)15/h3-4,6H,2,5,7-9,16H2,1H3
InChIKeySGDYACDIUZGDON-UHFFFAOYSA-N
XLogP1.50
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-amino-4-bromophenyl)methyl]-4-propylpiperazine-2,5-dione
CID 114380631
1-[(4-amino-2-fluorophenyl)methyl]-4-ethylpiperazine-2,5-dione
CID 79936115
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 113471380
1-[(4-amino-2-bromophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 79937354
4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one
CID 79469209
1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione
CID 79941944
3-chloro-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 28721933
(3R)-4-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165422583
1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione
CID 104514012
1-[(4-aminophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 79936216
3-[(4-amino-2-chlorophenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63800485
4-(azepan-1-ylmethyl)-3-chloroaniline
CID 28721850

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione (CID 79936117) is 1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2ccc(N)cc2Cl)CC1=O.
What is the InChIKey of 1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione?
The InChIKey is SGDYACDIUZGDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-2-5-17-8-14(20)18(9-13(17)19)7-10-3-4-11(16)6-12(10)15/h3-4,6H,2,5,7-9,16H2,1H3.
What are the key properties of 1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione?
1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione has a molecular weight of 295.77 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79936117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).