(2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone

C18H25N3O2 — CID 71877422

IUPAC(2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2C)c(C)n1Cc1ccco1
InChIInChI=1S/C18H25N3O2/c1-13-10-17(15(3)21(13)12-16-6-5-9-23-16)18(22)20-8-7-19(4)11-14(20)2/h5-6,9-10,14H,7-8,11-12H2,1-4H3
InChIKeyGDUNSCCLAMEXJR-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.52
Rot. Bonds3

About (2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone

(2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone (PubChem CID 71877422) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone
PubChem CID71877422
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2C)c(C)n1Cc1ccco1
InChIInChI=1S/C18H25N3O2/c1-13-10-17(15(3)21(13)12-16-6-5-9-23-16)18(22)20-8-7-19(4)11-14(20)2/h5-6,9-10,14H,7-8,11-12H2,1-4H3
InChIKeyGDUNSCCLAMEXJR-UHFFFAOYSA-N
XLogP2.52
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94151412
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252292
4-(2,4-dimethylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 71877105
(4S)-4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100892241
methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 43074086
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731513
4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33007376
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 9442872
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 43020705
(2S)-2-(4-acetylpiperazin-1-yl)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 9276152
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone (CID 71877422) is (2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone is Cc1cc(C(=O)N2CCN(C)CC2C)c(C)n1Cc1ccco1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The InChIKey is GDUNSCCLAMEXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-10-17(15(3)21(13)12-16-6-5-9-23-16)18(22)20-8-7-19(4)11-14(20)2/h5-6,9-10,14H,7-8,11-12H2,1-4H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone?
(2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone is sourced from PubChem (CID 71877422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).