2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide

C18H23N3O2 — CID 30899733

IUPAC2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N3O2/c1-15-17(7-14-23-15)18(22)19-8-9-20-10-12-21(13-11-20)16-5-3-2-4-6-16/h2-7,14H,8-13H2,1H3,(H,19,22)
InChIKeyVGEIYOWBJKJORM-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.14
Rot. Bonds5

About 2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide

2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide (PubChem CID 30899733) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
PubChem CID30899733
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N3O2/c1-15-17(7-14-23-15)18(22)19-8-9-20-10-12-21(13-11-20)16-5-3-2-4-6-16/h2-7,14H,8-13H2,1H3,(H,19,22)
InChIKeyVGEIYOWBJKJORM-UHFFFAOYSA-N
XLogP2.14
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55841381
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 30885160
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
CID 55602871
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 166351505
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 30900411
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide (CID 30899733) is 2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide is Cc1occc1C(=O)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide?
The InChIKey is VGEIYOWBJKJORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-15-17(7-14-23-15)18(22)19-8-9-20-10-12-21(13-11-20)16-5-3-2-4-6-16/h2-7,14H,8-13H2,1H3,(H,19,22).
What are the key properties of 2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide?
2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 30899733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).