[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid

C20H25N5O3 — CID 141250268

IUPAC[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid
SMILESCC(=O)N1CCN(c2ccc(CCc3ccc(N(N)C(=O)O)cc3)nc2)CC1
InChIInChI=1S/C20H25N5O3/c1-15(26)23-10-12-24(13-11-23)19-9-6-17(22-14-19)5-2-16-3-7-18(8-4-16)25(21)20(27)28/h3-4,6-9,14H,2,5,10-13,21H2,1H3,(H,27,28)
InChIKeyREOOSWIPFUFGPP-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.89
Rot. Bonds5

About [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid

[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid (PubChem CID 141250268) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid.

Molecular Properties

Compound Name[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid
PubChem CID141250268
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid
SMILESCC(=O)N1CCN(c2ccc(CCc3ccc(N(N)C(=O)O)cc3)nc2)CC1
InChIInChI=1S/C20H25N5O3/c1-15(26)23-10-12-24(13-11-23)19-9-6-17(22-14-19)5-2-16-3-7-18(8-4-16)25(21)20(27)28/h3-4,6-9,14H,2,5,10-13,21H2,1H3,(H,27,28)
InChIKeyREOOSWIPFUFGPP-UHFFFAOYSA-N
XLogP1.89
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid 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

1-[4-[6-[2-[4-(aminomethyl)phenyl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58181336
[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methyl 2-aminoacetate
CID 58181358
1-[[3-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methyl]-1-aminourea;trihydrochloride
CID 67267228
1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 174614522
1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58181239
1-[4-[6-(2,2-dimethylpropyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 135157721
tert-butyl 4-[6-[2-[4-(2-hydroxyethyl)phenyl]ethyl]-3-pyridinyl]piperazine-1-carboxylate
CID 67029992
2-[5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophen-2-yl]ethyl N-aminocarbamate
CID 67267295
ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine
CID 143901704
1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040
[5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophen-2-yl] propanoate
CID 91363189
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
CID 109187351

Frequently Asked Questions

What is the IUPAC name of [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid?
The IUPAC name of [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid (CID 141250268) is [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid.
What is the SMILES notation for [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid?
The canonical SMILES for [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid is CC(=O)N1CCN(c2ccc(CCc3ccc(N(N)C(=O)O)cc3)nc2)CC1.
What is the InChIKey of [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid?
The InChIKey is REOOSWIPFUFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15(26)23-10-12-24(13-11-23)19-9-6-17(22-14-19)5-2-16-3-7-18(8-4-16)25(21)20(27)28/h3-4,6-9,14H,2,5,10-13,21H2,1H3,(H,27,28).
What are the key properties of [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid?
[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid has a molecular weight of 383.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid is sourced from PubChem (CID 141250268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).