(2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone

C16H23N3O — CID 28749270

IUPAC(2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCC2)cccc1N1CCNCC1
InChIInChI=1S/C16H23N3O/c1-13-14(16(20)19-9-2-3-10-19)5-4-6-15(13)18-11-7-17-8-12-18/h4-6,17H,2-3,7-12H2,1H3
InChIKeyXTNYFDIMSOWSKI-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.64
Rot. Bonds2

About (2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone

(2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 28749270) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID28749270
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCC2)cccc1N1CCNCC1
InChIInChI=1S/C16H23N3O/c1-13-14(16(20)19-9-2-3-10-19)5-4-6-15(13)18-11-7-17-8-12-18/h4-6,17H,2-3,7-12H2,1H3
InChIKeyXTNYFDIMSOWSKI-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
2-methyl-3-pyrrolidin-1-ylbenzamide
CID 154257026
2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide
CID 28749260
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone
CID 176967580
(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 58290282
2-carbamoyl-3-piperazin-1-ylbenzoic acid
CID 172739762
1-[4-[2-chloro-3-(pyrrolidine-1-carbonyl)phenyl]piperazin-1-yl]ethanone
CID 145286557
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
aziridin-1-yl-(3-iodo-2-methylphenyl)methanone
CID 130616512
piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone
CID 158455886

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone (CID 28749270) is (2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone is Cc1c(C(=O)N2CCCC2)cccc1N1CCNCC1.
What is the InChIKey of (2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is XTNYFDIMSOWSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-14(16(20)19-9-2-3-10-19)5-4-6-15(13)18-11-7-17-8-12-18/h4-6,17H,2-3,7-12H2,1H3.
What are the key properties of (2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone?
(2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 273.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 28749270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).