6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide

C16H21FN4O2 — CID 120890655

IUPAC6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2cc(F)cc3[nH]cnc23)CCNCC1
InChIInChI=1S/C16H21FN4O2/c1-23-9-16(2-4-18-5-3-16)8-19-15(22)12-6-11(17)7-13-14(12)21-10-20-13/h6-7,10,18H,2-5,8-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyMARUEZKRMQYENV-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.45
Rot. Bonds5

About 6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide

6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 120890655) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
PubChem CID120890655
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2cc(F)cc3[nH]cnc23)CCNCC1
InChIInChI=1S/C16H21FN4O2/c1-23-9-16(2-4-18-5-3-16)8-19-15(22)12-6-11(17)7-13-14(12)21-10-20-13/h6-7,10,18H,2-5,8-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyMARUEZKRMQYENV-UHFFFAOYSA-N
XLogP1.45
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887847
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841
3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride
CID 120892055
6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
CID 120890313
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890029
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003
5-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120887918
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide (CID 120890655) is 6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide is COCC1(CNC(=O)c2cc(F)cc3[nH]cnc23)CCNCC1.
What is the InChIKey of 6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is MARUEZKRMQYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-23-9-16(2-4-18-5-3-16)8-19-15(22)12-6-11(17)7-13-14(12)21-10-20-13/h6-7,10,18H,2-5,8-9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 120890655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).