benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride

C20H22ClN3O2 — CID 159277113

IUPACbenzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)N1CCNCC1C1=Cc2ncccc2C1
InChIInChI=1S/C20H21N3O2.ClH/c24-20(25-14-15-5-2-1-3-6-15)23-10-9-21-13-19(23)17-11-16-7-4-8-22-18(16)12-17;/h1-8,12,19,21H,9-11,13-14H2;1H
InChIKeyBSTJIJITMNGYJJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.05
Rot. Bonds3

About benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride

benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride (PubChem CID 159277113) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride
PubChem CID159277113
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Namebenzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)N1CCNCC1C1=Cc2ncccc2C1
InChIInChI=1S/C20H21N3O2.ClH/c24-20(25-14-15-5-2-1-3-6-15)23-10-9-21-13-19(23)17-11-16-7-4-8-22-18(16)12-17;/h1-8,12,19,21H,9-11,13-14H2;1H
InChIKeyBSTJIJITMNGYJJ-UHFFFAOYSA-N
XLogP3.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541660
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541678
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
benzyl 2-tert-butylpiperazine-1-carboxylate
CID 158296243
benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate
CID 175918378
benzyl 2-(methoxymethyl)piperazine-1-carboxylate
CID 141396583
benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541489
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149
benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride (CID 159277113) is benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)N1CCNCC1C1=Cc2ncccc2C1.
What is the InChIKey of benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is BSTJIJITMNGYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.ClH/c24-20(25-14-15-5-2-1-3-6-15)23-10-9-21-13-19(23)17-11-16-7-4-8-22-18(16)12-17;/h1-8,12,19,21H,9-11,13-14H2;1H.
What are the key properties of benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride?
benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 159277113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).