N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide

C26H31N3O2 — CID 42277195

IUPACN-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCC(NCCc4ccco4)CC3)cc2)c(C)c1
InChIInChI=1S/C26H31N3O2/c1-19-5-10-25(20(2)18-19)26(30)28-22-6-8-23(9-7-22)29-15-12-21(13-16-29)27-14-11-24-4-3-17-31-24/h3-10,17-18,21,27H,11-16H2,1-2H3,(H,28,30)
InChIKeyKRHYEXGGYRARSO-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.95
Rot. Bonds7

About N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide

N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide (PubChem CID 42277195) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
PubChem CID42277195
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCC(NCCc4ccco4)CC3)cc2)c(C)c1
InChIInChI=1S/C26H31N3O2/c1-19-5-10-25(20(2)18-19)26(30)28-22-6-8-23(9-7-22)29-15-12-21(13-16-29)27-14-11-24-4-3-17-31-24/h3-10,17-18,21,27H,11-16H2,1-2H3,(H,28,30)
InChIKeyKRHYEXGGYRARSO-UHFFFAOYSA-N
XLogP4.95
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[4-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
CID 118758657
N-cyclopentyl-4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]benzamide
CID 42434130
2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
CID 126462471
N-[4-[4-[(2,3-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 26331342
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
N-[4-[4-[(2,4-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 42451584
2,4-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401862
N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 26341946
2,4-dimethyl-N-[4-[4-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]piperidin-1-yl]phenyl]benzamide
CID 42246985
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide
CID 42405693
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 113400267

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide (CID 42277195) is N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(N3CCC(NCCc4ccco4)CC3)cc2)c(C)c1.
What is the InChIKey of N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide?
The InChIKey is KRHYEXGGYRARSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-19-5-10-25(20(2)18-19)26(30)28-22-6-8-23(9-7-22)29-15-12-21(13-16-29)27-14-11-24-4-3-17-31-24/h3-10,17-18,21,27H,11-16H2,1-2H3,(H,28,30).
What are the key properties of N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide?
N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide has a molecular weight of 417.55 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 42277195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).