5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide

C16H24ClN3O2 — CID 119445271

IUPAC5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Cl)cc1C(=O)NCCN1CCNCC1
InChIInChI=1S/C16H24ClN3O2/c1-2-11-22-15-4-3-13(17)12-14(15)16(21)19-7-10-20-8-5-18-6-9-20/h3-4,12,18H,2,5-11H2,1H3,(H,19,21)
InChIKeyANTDYQIPZIRXJH-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.76
Rot. Bonds7

About 5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide

5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide (PubChem CID 119445271) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
PubChem CID119445271
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Cl)cc1C(=O)NCCN1CCNCC1
InChIInChI=1S/C16H24ClN3O2/c1-2-11-22-15-4-3-13(17)12-14(15)16(21)19-7-10-20-8-5-18-6-9-20/h3-4,12,18H,2,5-11H2,1H3,(H,19,21)
InChIKeyANTDYQIPZIRXJH-UHFFFAOYSA-N
XLogP1.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide
CID 118583135
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
(5-chloro-2-propoxyphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119414568
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide
CID 97221382
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide?
The IUPAC name of 5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide (CID 119445271) is 5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide?
The canonical SMILES for 5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide is CCCOc1ccc(Cl)cc1C(=O)NCCN1CCNCC1.
What is the InChIKey of 5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide?
The InChIKey is ANTDYQIPZIRXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-2-11-22-15-4-3-13(17)12-14(15)16(21)19-7-10-20-8-5-18-6-9-20/h3-4,12,18H,2,5-11H2,1H3,(H,19,21).
What are the key properties of 5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide?
5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide has a molecular weight of 325.84 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide is sourced from PubChem (CID 119445271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).