N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide

C17H22N4O3 — CID 171406891

IUPACN-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide
SMILESO=C1CCC(c2ccc(NC(=O)CN3CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C17H22N4O3/c22-15-6-5-14(17(24)20-15)12-1-3-13(4-2-12)19-16(23)11-21-9-7-18-8-10-21/h1-4,14,18H,5-11H2,(H,19,23)(H,20,22,24)
InChIKeyJNMHFABDNFKQPM-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.05
Rot. Bonds4

About N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide

N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide (PubChem CID 171406891) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide
PubChem CID171406891
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide
SMILESO=C1CCC(c2ccc(NC(=O)CN3CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C17H22N4O3/c22-15-6-5-14(17(24)20-15)12-1-3-13(4-2-12)19-16(23)11-21-9-7-18-8-10-21/h1-4,14,18H,5-11H2,(H,19,23)(H,20,22,24)
InChIKeyJNMHFABDNFKQPM-UHFFFAOYSA-N
XLogP0.05
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane
CID 170737766
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 166553665
N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide
CID 177117602
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
3-[4-[9-(piperazin-1-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione
CID 166066223
(3S)-3-[4-[1-(2-oxo-2-piperazin-1-ylethyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 175885718
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide
CID 54773502
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838877
N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62838478
2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide
CID 166553748
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide (CID 171406891) is N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide is O=C1CCC(c2ccc(NC(=O)CN3CCNCC3)cc2)C(=O)N1.
What is the InChIKey of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide?
The InChIKey is JNMHFABDNFKQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15-6-5-14(17(24)20-15)12-1-3-13(4-2-12)19-16(23)11-21-9-7-18-8-10-21/h1-4,14,18H,5-11H2,(H,19,23)(H,20,22,24).
What are the key properties of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide?
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide has a molecular weight of 330.39 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 171406891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).