N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide

C18H23N3O2 — CID 18106072

IUPACN-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)NCCc2ccco2)CC1
InChIInChI=1S/C18H23N3O2/c1-15-5-2-3-7-17(15)20-10-12-21(13-11-20)18(22)19-9-8-16-6-4-14-23-16/h2-7,14H,8-13H2,1H3,(H,19,22)
InChIKeyMUBXJKDLHQNMFY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.66
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide

N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 18106072) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID18106072
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)NCCc2ccco2)CC1
InChIInChI=1S/C18H23N3O2/c1-15-5-2-3-7-17(15)20-10-12-21(13-11-20)18(22)19-9-8-16-6-4-14-23-16/h2-7,14H,8-13H2,1H3,(H,19,22)
InChIKeyMUBXJKDLHQNMFY-UHFFFAOYSA-N
XLogP2.66
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 18129546
2-[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053439
N-[2-(2-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108900383
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133688
2-[[[4-(2-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053311
4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
CID 42895557
formic acid;N-(4-hydroxy-3-methylbutyl)-4-(2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 154908638
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 110053292
4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
CID 25479399

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide (CID 18106072) is N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccccc1N1CCN(C(=O)NCCc2ccco2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is MUBXJKDLHQNMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-15-5-2-3-7-17(15)20-10-12-21(13-11-20)18(22)19-9-8-16-6-4-14-23-16/h2-7,14H,8-13H2,1H3,(H,19,22).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 18106072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).