(E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide

C20H29N5O3 — CID 155210638

IUPAC(E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCC(=O)N1CCNC(CN2CCN(c3ccccc3/C=C/C(=O)NO)CC2)C1
InChIInChI=1S/C20H29N5O3/c1-16(26)25-9-8-21-18(15-25)14-23-10-12-24(13-11-23)19-5-3-2-4-17(19)6-7-20(27)22-28/h2-7,18,21,28H,8-15H2,1H3,(H,22,27)/b7-6+
InChIKeyJBUGXNBLBGBCHU-VOTSOKGWSA-N
MW387.48 g/mol
LogP0.15
Rot. Bonds5

About (E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 155210638) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID155210638
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name(E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCC(=O)N1CCNC(CN2CCN(c3ccccc3/C=C/C(=O)NO)CC2)C1
InChIInChI=1S/C20H29N5O3/c1-16(26)25-9-8-21-18(15-25)14-23-10-12-24(13-11-23)19-5-3-2-4-17(19)6-7-20(27)22-28/h2-7,18,21,28H,8-15H2,1H3,(H,22,27)/b7-6+
InChIKeyJBUGXNBLBGBCHU-VOTSOKGWSA-N
XLogP0.15
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514118
(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 166920810
(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 122514187
(E)-3-[2-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514032
(E)-N-hydroxy-3-[2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]phenyl]prop-2-enamide
CID 122514430
(E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514028
(E)-3-[2-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122513920
(E)-3-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122513951
1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone
CID 70162239
3-[3-[3-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 74428920
(E)-3-[2-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514284
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide (CID 155210638) is (E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide is CC(=O)N1CCNC(CN2CCN(c3ccccc3/C=C/C(=O)NO)CC2)C1.
What is the InChIKey of (E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is JBUGXNBLBGBCHU-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-16(26)25-9-8-21-18(15-25)14-23-10-12-24(13-11-23)19-5-3-2-4-17(19)6-7-20(27)22-28/h2-7,18,21,28H,8-15H2,1H3,(H,22,27)/b7-6+.
What are the key properties of (E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 387.48 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 155210638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).