8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine

C20H32ClN3O4 — CID 175439184

IUPAC8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine
SMILESCN1CCNCC1.O=C(O)CCCCCCCNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H20ClNO4.C5H12N2/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20;1-7-4-2-6-3-5-7/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20);6H,2-5H2,1H3
InChIKeyZGHYMWTVIOFGQT-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.72
Rot. Bonds9

About 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine

8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine (PubChem CID 175439184) has the molecular formula C20H32ClN3O4 and a molecular weight of 413.95 g/mol. Its IUPAC name is 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine.

Molecular Properties

Compound Name8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine
PubChem CID175439184
Molecular FormulaC20H32ClN3O4
Molecular Weight413.95 g/mol
Exact Mass413.21
IUPAC Name8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine
SMILESCN1CCNCC1.O=C(O)CCCCCCCNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H20ClNO4.C5H12N2/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20;1-7-4-2-6-3-5-7/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20);6H,2-5H2,1H3
InChIKeyZGHYMWTVIOFGQT-UHFFFAOYSA-N
XLogP2.72
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid
CID 175912577
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629
benzyl(trimethyl)azanium;8-[(5-chloro-2-hydroxybenzoyl)amino]octanoate
CID 169085802
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
4-[(5-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 119352707
4-[(4-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 120684450
6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid
CID 120522449
2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
CID 15858288
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid
CID 126640594

Frequently Asked Questions

What is the IUPAC name of 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine?
The IUPAC name of 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine (CID 175439184) is 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine.
What is the SMILES notation for 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine?
The canonical SMILES for 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine is CN1CCNCC1.O=C(O)CCCCCCCNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine?
The InChIKey is ZGHYMWTVIOFGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4.C5H12N2/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20;1-7-4-2-6-3-5-7/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20);6H,2-5H2,1H3.
What are the key properties of 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine?
8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine has a molecular weight of 413.95 g/mol, XLogP of 2.72, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine is sourced from PubChem (CID 175439184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).