2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide

C14H19ClN4O2 — CID 77011840

IUPAC2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1)=NO
InChIInChI=1S/C14H19ClN4O2/c15-12-3-1-2-11(8-12)9-14(20)19-6-4-18(5-7-19)10-13(16)17-21/h1-3,8,21H,4-7,9-10H2,(H2,16,17)
InChIKeyDZUWXULGAVCDQD-UHFFFAOYSA-N
MW310.78 g/mol
LogP0.77
Rot. Bonds4

About 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 77011840) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID77011840
Molecular FormulaC14H19ClN4O2
Molecular Weight310.78 g/mol
Exact Mass310.12
IUPAC Name2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1)=NO
InChIInChI=1S/C14H19ClN4O2/c15-12-3-1-2-11(8-12)9-14(20)19-6-4-18(5-7-19)10-13(16)17-21/h1-3,8,21H,4-7,9-10H2,(H2,16,17)
InChIKeyDZUWXULGAVCDQD-UHFFFAOYSA-N
XLogP0.77
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide
CID 77011790
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 63336887
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-(3-chlorophenyl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63309755
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
CID 110750504
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 107992491
2-(3-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119932156
2-(3-chlorophenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 70741660
2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336015

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide (CID 77011840) is 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide is NC(CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1)=NO.
What is the InChIKey of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is DZUWXULGAVCDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-12-3-1-2-11(8-12)9-14(20)19-6-4-18(5-7-19)10-13(16)17-21/h1-3,8,21H,4-7,9-10H2,(H2,16,17).
What are the key properties of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 310.78 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77011840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).