(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone

C18H24N4O — CID 71840944

IUPAC(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
SMILESCCCn1cc(-c2ccncc2)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C18H24N4O/c1-3-8-22-14-16(15-4-6-19-7-5-15)13-17(22)18(23)21-11-9-20(2)10-12-21/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyQMZQRWFVIIUTPC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.35
Rot. Bonds4

About (4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone

(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone (PubChem CID 71840944) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
PubChem CID71840944
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
SMILESCCCn1cc(-c2ccncc2)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C18H24N4O/c1-3-8-22-14-16(15-4-6-19-7-5-15)13-17(22)18(23)21-11-9-20(2)10-12-21/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyQMZQRWFVIIUTPC-UHFFFAOYSA-N
XLogP2.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
CID 71840931
[1-ethyl-4-(4-methoxyphenyl)pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 53147777
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone
CID 97447266
N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840926
(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43642162
(4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone
CID 71840996
N-(1,3-benzodioxol-5-ylmethyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159839
ethyl 1-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carbonyl]piperidine-4-carboxylate
CID 53159779
(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096346
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone
CID 71841010
[1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone
CID 53147821

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone (CID 71840944) is (4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone is CCCn1cc(-c2ccncc2)cc1C(=O)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
The InChIKey is QMZQRWFVIIUTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-8-22-14-16(15-4-6-19-7-5-15)13-17(22)18(23)21-11-9-20(2)10-12-21/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 71840944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).