4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one

C16H24ClN3O — CID 63595234

IUPAC4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one
SMILESCCC(N)C(c1ccccc1Cl)N1CCNC(=O)C1(C)C
InChIInChI=1S/C16H24ClN3O/c1-4-13(18)14(11-7-5-6-8-12(11)17)20-10-9-19-15(21)16(20,2)3/h5-8,13-14H,4,9-10,18H2,1-3H3,(H,19,21)
InChIKeyAPOAYFQFOOCHMP-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.33
Rot. Bonds4

About 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one

4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63595234) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one
PubChem CID63595234
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one
SMILESCCC(N)C(c1ccccc1Cl)N1CCNC(=O)C1(C)C
InChIInChI=1S/C16H24ClN3O/c1-4-13(18)14(11-7-5-6-8-12(11)17)20-10-9-19-15(21)16(20,2)3/h5-8,13-14H,4,9-10,18H2,1-3H3,(H,19,21)
InChIKeyAPOAYFQFOOCHMP-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one
CID 63595749
4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one
CID 63595407
4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one
CID 63594887
4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one
CID 63595404
1-(azocan-1-yl)-1-(2-chlorophenyl)butan-2-amine
CID 63406052
4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 103958913
4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one
CID 63594889
4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one
CID 63594571
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid
CID 63606639
4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538
2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030
[4-[2-amino-1-(2-chlorophenyl)butyl]morpholin-2-yl]methanol
CID 81206374

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one (CID 63595234) is 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one is CCC(N)C(c1ccccc1Cl)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is APOAYFQFOOCHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-13(18)14(11-7-5-6-8-12(11)17)20-10-9-19-15(21)16(20,2)3/h5-8,13-14H,4,9-10,18H2,1-3H3,(H,19,21).
What are the key properties of 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one?
4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 309.84 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63595234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).