(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C15H18N4O — CID 120731694

IUPAC(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCn1cccc1C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H18N4O/c1-18-8-3-5-13(18)15(20)19-9-7-17-11-14(19)12-4-2-6-16-10-12/h2-6,8,10,14,17H,7,9,11H2,1H3
InChIKeyCLTJCWTVYCHRSY-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.21
Rot. Bonds2

About (1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120731694) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120731694
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCn1cccc1C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H18N4O/c1-18-8-3-5-13(18)15(20)19-9-7-17-11-14(19)12-4-2-6-16-10-12/h2-6,8,10,14,17H,7,9,11H2,1H3
InChIKeyCLTJCWTVYCHRSY-UHFFFAOYSA-N
XLogP1.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride
CID 120732596
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732429
(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
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120731694) is (1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cn1cccc1C(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of (1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is CLTJCWTVYCHRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-8-3-5-13(18)15(20)19-9-7-17-11-14(19)12-4-2-6-16-10-12/h2-6,8,10,14,17H,7,9,11H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120731694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).