2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile

C15H21N3O2 — CID 114820632

IUPAC2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(C(=O)c2coc(C)c2)CC1
InChIInChI=1S/C15H21N3O2/c1-3-4-14(10-16)17-5-7-18(8-6-17)15(19)13-9-12(2)20-11-13/h9,11,14H,3-8H2,1-2H3
InChIKeyMIPDQTNSCREHMB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.04
Rot. Bonds4

About 2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile

2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile (PubChem CID 114820632) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile
PubChem CID114820632
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(C(=O)c2coc(C)c2)CC1
InChIInChI=1S/C15H21N3O2/c1-3-4-14(10-16)17-5-7-18(8-6-17)15(19)13-9-12(2)20-11-13/h9,11,14H,3-8H2,1-2H3
InChIKeyMIPDQTNSCREHMB-UHFFFAOYSA-N
XLogP2.04
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-fluorobenzoyl)piperazin-1-yl]pentanenitrile
CID 63337908
2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile
CID 104785831
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile
CID 63337910
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
2-[4-(1-cyanobutyl)piperazin-1-yl]pentanoic acid
CID 83041979
2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile
CID 63337433
2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanenitrile
CID 63337476
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(5-methylfuran-3-yl)methanone
CID 114823106
2-[4-(3-bromobenzoyl)piperazin-1-yl]butanenitrile
CID 63337687
4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide
CID 114822701
(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821779
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile (CID 114820632) is 2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(C(=O)c2coc(C)c2)CC1.
What is the InChIKey of 2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile?
The InChIKey is MIPDQTNSCREHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-4-14(10-16)17-5-7-18(8-6-17)15(19)13-9-12(2)20-11-13/h9,11,14H,3-8H2,1-2H3.
What are the key properties of 2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile?
2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile has a molecular weight of 275.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylfuran-3-carbonyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 114820632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).