4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide

C25H26F3N3O3 — CID 26400741

IUPAC4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(N[C@H](c4ccco4)C(F)(F)F)CC3)cc2)cc1
InChIInChI=1S/C25H26F3N3O3/c1-33-21-10-4-17(5-11-21)24(32)30-18-6-8-20(9-7-18)31-14-12-19(13-15-31)29-23(25(26,27)28)22-3-2-16-34-22/h2-11,16,19,23,29H,12-15H2,1H3,(H,30,32)/t23-/m1/s1
InChIKeyQNIFUNPDDDDPEG-HSZRJFAPSA-N
MW473.50 g/mol
LogP5.40
Rot. Bonds7

About 4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide

4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide (PubChem CID 26400741) has the molecular formula C25H26F3N3O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is 4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide
PubChem CID26400741
Molecular FormulaC25H26F3N3O3
Molecular Weight473.50 g/mol
Exact Mass473.19
IUPAC Name4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(N[C@H](c4ccco4)C(F)(F)F)CC3)cc2)cc1
InChIInChI=1S/C25H26F3N3O3/c1-33-21-10-4-17(5-11-21)24(32)30-18-6-8-20(9-7-18)31-14-12-19(13-15-31)29-23(25(26,27)28)22-3-2-16-34-22/h2-11,16,19,23,29H,12-15H2,1H3,(H,30,32)/t23-/m1/s1
InChIKeyQNIFUNPDDDDPEG-HSZRJFAPSA-N
XLogP5.40
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-[4-[4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]-4-methoxybenzamide
CID 42318665
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
4-chloro-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17335383
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
N-[4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 55917529
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 7163045
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide
CID 3161473
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
4-(furan-2-carbonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 651346
N-[4-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-methoxybenzamide
CID 42473094

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide (CID 26400741) is 4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCC(N[C@H](c4ccco4)C(F)(F)F)CC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide?
The InChIKey is QNIFUNPDDDDPEG-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26F3N3O3/c1-33-21-10-4-17(5-11-21)24(32)30-18-6-8-20(9-7-18)31-14-12-19(13-15-31)29-23(25(26,27)28)22-3-2-16-34-22/h2-11,16,19,23,29H,12-15H2,1H3,(H,30,32)/t23-/m1/s1.
What are the key properties of 4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide?
4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide has a molecular weight of 473.50 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 26400741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).