[4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone

C24H28N4O2 — CID 71840931

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
SMILESCCCn1cc(-c2ccncc2)cc1C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H28N4O2/c1-3-12-28-18-20(19-8-10-25-11-9-19)17-22(28)24(29)27-15-13-26(14-16-27)21-6-4-5-7-23(21)30-2/h4-11,17-18H,3,12-16H2,1-2H3
InChIKeyUVLXVDSHEKSSGK-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.93
Rot. Bonds6

About [4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone (PubChem CID 71840931) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
PubChem CID71840931
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
SMILESCCCn1cc(-c2ccncc2)cc1C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H28N4O2/c1-3-12-28-18-20(19-8-10-25-11-9-19)17-22(28)24(29)27-15-13-26(14-16-27)21-6-4-5-7-23(21)30-2/h4-11,17-18H,3,12-16H2,1-2H3
InChIKeyUVLXVDSHEKSSGK-UHFFFAOYSA-N
XLogP3.93
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
CID 71840944
6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175983
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-(2,7-naphthyridin-1-yl)methanone
CID 167947502
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42758562
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 91958754
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
[5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 130280545
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46547494
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 15998425

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone (CID 71840931) is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone is CCCn1cc(-c2ccncc2)cc1C(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
The InChIKey is UVLXVDSHEKSSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-12-28-18-20(19-8-10-25-11-9-19)17-22(28)24(29)27-15-13-26(14-16-27)21-6-4-5-7-23(21)30-2/h4-11,17-18H,3,12-16H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone has a molecular weight of 404.51 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 71840931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).