(1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone

C19H26N4O2 — CID 53185274

IUPAC(1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCCCOc1ccc(CN2CCN(C(=O)c3cccn3C)CC2)cn1
InChIInChI=1S/C19H26N4O2/c1-3-13-25-18-7-6-16(14-20-18)15-22-9-11-23(12-10-22)19(24)17-5-4-8-21(17)2/h4-8,14H,3,9-13,15H2,1-2H3
InChIKeyWCYNNNSLGJCQSX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.17
Rot. Bonds6

About (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone

(1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone (PubChem CID 53185274) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
PubChem CID53185274
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCCCOc1ccc(CN2CCN(C(=O)c3cccn3C)CC2)cn1
InChIInChI=1S/C19H26N4O2/c1-3-13-25-18-7-6-16(14-20-18)15-22-9-11-23(12-10-22)19(24)17-5-4-8-21(17)2/h4-8,14H,3,9-13,15H2,1-2H3
InChIKeyWCYNNNSLGJCQSX-UHFFFAOYSA-N
XLogP2.17
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185138
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
(1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124952337
(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704250
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258
4-acetyl-N-ethyl-N'-[(6-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111547014
[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 97449593
N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 95107314
(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97384435
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone (CID 53185274) is (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone is CCCOc1ccc(CN2CCN(C(=O)c3cccn3C)CC2)cn1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
The InChIKey is WCYNNNSLGJCQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-13-25-18-7-6-16(14-20-18)15-22-9-11-23(12-10-22)19(24)17-5-4-8-21(17)2/h4-8,14H,3,9-13,15H2,1-2H3.
What are the key properties of (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53185274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).