[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone

C16H25N3OS — CID 61177242

IUPAC[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCCc1ccc(CN2CCCC2C(=O)N2CCNCC2)s1
InChIInChI=1S/C16H25N3OS/c1-2-13-5-6-14(21-13)12-19-9-3-4-15(19)16(20)18-10-7-17-8-11-18/h5-6,15,17H,2-4,7-12H2,1H3
InChIKeyMWNWAYCDOPRHGM-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.71
Rot. Bonds4

About [1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 61177242) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is [1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID61177242
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCCc1ccc(CN2CCCC2C(=O)N2CCNCC2)s1
InChIInChI=1S/C16H25N3OS/c1-2-13-5-6-14(21-13)12-19-9-3-4-15(19)16(20)18-10-7-17-8-11-18/h5-6,15,17H,2-4,7-12H2,1H3
InChIKeyMWNWAYCDOPRHGM-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 62346739
[1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175122
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176273
[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176103
[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114188867
methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
CID 55134425
1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 24704411
2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanenitrile
CID 61175138
[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114525980
4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83929402
[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63192291
[1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 75470826

Frequently Asked Questions

What is the IUPAC name of [1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 61177242) is [1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone is CCc1ccc(CN2CCCC2C(=O)N2CCNCC2)s1.
What is the InChIKey of [1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is MWNWAYCDOPRHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-13-5-6-14(21-13)12-19-9-3-4-15(19)16(20)18-10-7-17-8-11-18/h5-6,15,17H,2-4,7-12H2,1H3.
What are the key properties of [1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 307.46 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 61177242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).