4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide

C26H32FN5O3 — CID 69461979

IUPAC4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCn1c(CNC(=O)N2CCC(CCNC(=O)COCc3ccc(F)cc3)CC2)nc2ccccc21
InChIInChI=1S/C26H32FN5O3/c1-31-23-5-3-2-4-22(23)30-24(31)16-29-26(34)32-14-11-19(12-15-32)10-13-28-25(33)18-35-17-20-6-8-21(27)9-7-20/h2-9,19H,10-18H2,1H3,(H,28,33)(H,29,34)
InChIKeyRYLNEPGSDNPPKS-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.36
Rot. Bonds9

About 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide

4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 69461979) has the molecular formula C26H32FN5O3 and a molecular weight of 481.57 g/mol. Its IUPAC name is 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID69461979
Molecular FormulaC26H32FN5O3
Molecular Weight481.57 g/mol
Exact Mass481.25
IUPAC Name4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCn1c(CNC(=O)N2CCC(CCNC(=O)COCc3ccc(F)cc3)CC2)nc2ccccc21
InChIInChI=1S/C26H32FN5O3/c1-31-23-5-3-2-4-22(23)30-24(31)16-29-26(34)32-14-11-19(12-15-32)10-13-28-25(33)18-35-17-20-6-8-21(27)9-7-20/h2-9,19H,10-18H2,1H3,(H,28,33)(H,29,34)
InChIKeyRYLNEPGSDNPPKS-UHFFFAOYSA-N
XLogP3.36
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 69384138
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CID 110712039
2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide
CID 11952791
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614962
1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55454693
(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 125145269
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CID 90040854
3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 131946837
(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 95324241
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 42378837
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 110712099
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide (CID 69461979) is 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide is Cn1c(CNC(=O)N2CCC(CCNC(=O)COCc3ccc(F)cc3)CC2)nc2ccccc21.
What is the InChIKey of 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is RYLNEPGSDNPPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3/c1-31-23-5-3-2-4-22(23)30-24(31)16-29-26(34)32-14-11-19(12-15-32)10-13-28-25(33)18-35-17-20-6-8-21(27)9-7-20/h2-9,19H,10-18H2,1H3,(H,28,33)(H,29,34).
What are the key properties of 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide?
4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 69461979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).