N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide

C15H22N4O2 — CID 63600397

IUPACN-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCC(N)c1ccc(NC(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C15H22N4O2/c1-10(16)11-4-6-12(7-5-11)18-14(21)19-9-8-17-13(20)15(19,2)3/h4-7,10H,8-9,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFIUAZRRMDVZETN-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.45
Rot. Bonds2

About N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide

N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 63600397) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID63600397
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCC(N)c1ccc(NC(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C15H22N4O2/c1-10(16)11-4-6-12(7-5-11)18-14(21)19-9-8-17-13(20)15(19,2)3/h4-7,10H,8-9,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFIUAZRRMDVZETN-UHFFFAOYSA-N
XLogP1.45
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide (CID 63600397) is N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide is CC(N)c1ccc(NC(=O)N2CCNC(=O)C2(C)C)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is FIUAZRRMDVZETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(16)11-4-6-12(7-5-11)18-14(21)19-9-8-17-13(20)15(19,2)3/h4-7,10H,8-9,16H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 63600397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).