N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

C22H26FN5O3 — CID 155989837

IUPACN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1ccc2nc(COCC(=O)NCC3(O)CCCN(c4ccc(F)cn4)C3)[nH]c2c1
InChIInChI=1S/C22H26FN5O3/c1-15-3-5-17-18(9-15)27-19(26-17)11-31-12-21(29)25-13-22(30)7-2-8-28(14-22)20-6-4-16(23)10-24-20/h3-6,9-10,30H,2,7-8,11-14H2,1H3,(H,25,29)(H,26,27)
InChIKeyNYTJQIYHSKRYTO-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.07
Rot. Bonds7

About N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 155989837) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID155989837
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC NameN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1ccc2nc(COCC(=O)NCC3(O)CCCN(c4ccc(F)cn4)C3)[nH]c2c1
InChIInChI=1S/C22H26FN5O3/c1-15-3-5-17-18(9-15)27-19(26-17)11-31-12-21(29)25-13-22(30)7-2-8-28(14-22)20-6-4-16(23)10-24-20/h3-6,9-10,30H,2,7-8,11-14H2,1H3,(H,25,29)(H,26,27)
InChIKeyNYTJQIYHSKRYTO-UHFFFAOYSA-N
XLogP2.07
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 155989762
3-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]propanamide
CID 155989841
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 155989847
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 124991641
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 124998973
4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide
CID 155989842
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110124157
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide
CID 124983310
5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125010520
2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 95721250
1-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 124999832
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 155987447

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (CID 155989837) is N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is Cc1ccc2nc(COCC(=O)NCC3(O)CCCN(c4ccc(F)cn4)C3)[nH]c2c1.
What is the InChIKey of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is NYTJQIYHSKRYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3/c1-15-3-5-17-18(9-15)27-19(26-17)11-31-12-21(29)25-13-22(30)7-2-8-28(14-22)20-6-4-16(23)10-24-20/h3-6,9-10,30H,2,7-8,11-14H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 427.48 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 155989837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).