N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide

C15H22N4O2 — CID 82354357

IUPACN-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(CCN)CC2)c1
InChIInChI=1S/C15H22N4O2/c1-12(20)17-14-4-2-3-13(11-14)15(21)19-9-7-18(6-5-16)8-10-19/h2-4,11H,5-10,16H2,1H3,(H,17,20)
InChIKeyDGNYLASJZLYDBP-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.36
Rot. Bonds4

About N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide

N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 82354357) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID82354357
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(CCN)CC2)c1
InChIInChI=1S/C15H22N4O2/c1-12(20)17-14-4-2-3-13(11-14)15(21)19-9-7-18(6-5-16)8-10-19/h2-4,11H,5-10,16H2,1H3,(H,17,20)
InChIKeyDGNYLASJZLYDBP-UHFFFAOYSA-N
XLogP0.36
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185
N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110742092
4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
CID 110365652
N-[3-[4-(3-methylbutanoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806834
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
CID 110359222

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide (CID 82354357) is N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(CCN)CC2)c1.
What is the InChIKey of N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is DGNYLASJZLYDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12(20)17-14-4-2-3-13(11-14)15(21)19-9-7-18(6-5-16)8-10-19/h2-4,11H,5-10,16H2,1H3,(H,17,20).
What are the key properties of N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 82354357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).