(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride

C14H17ClN4O — CID 120730091

IUPAC(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccc[nH]1)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H16N4O.ClH/c19-14(12-4-2-6-17-12)18-8-7-16-10-13(18)11-3-1-5-15-9-11;/h1-6,9,13,16-17H,7-8,10H2;1H
InChIKeyRGJBYJUSVYGVOD-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.62
Rot. Bonds2

About (2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride

(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride (PubChem CID 120730091) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is (2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
PubChem CID120730091
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccc[nH]1)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H16N4O.ClH/c19-14(12-4-2-6-17-12)18-8-7-16-10-13(18)11-3-1-5-15-9-11;/h1-6,9,13,16-17H,7-8,10H2;1H
InChIKeyRGJBYJUSVYGVOD-UHFFFAOYSA-N
XLogP1.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731790
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732345
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride?
The IUPAC name of (2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride (CID 120730091) is (2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride.
What is the SMILES notation for (2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride?
The canonical SMILES for (2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride is Cl.O=C(c1ccc[nH]1)N1CCNCC1c1cccnc1.
What is the InChIKey of (2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride?
The InChIKey is RGJBYJUSVYGVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.ClH/c19-14(12-4-2-6-17-12)18-8-7-16-10-13(18)11-3-1-5-15-9-11;/h1-6,9,13,16-17H,7-8,10H2;1H.
What are the key properties of (2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride?
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120730091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).