N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

C22H25FN4O — CID 131933679

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(CC(=O)NC3CCCN(Cc4ccccc4F)C3)cc2[nH]1
InChIInChI=1S/C22H25FN4O/c1-15-24-20-9-8-16(11-21(20)25-15)12-22(28)26-18-6-4-10-27(14-18)13-17-5-2-3-7-19(17)23/h2-3,5,7-9,11,18H,4,6,10,12-14H2,1H3,(H,24,25)(H,26,28)
InChIKeyBKHYRDHVFXURRO-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.33
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 131933679) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID131933679
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(CC(=O)NC3CCCN(Cc4ccccc4F)C3)cc2[nH]1
InChIInChI=1S/C22H25FN4O/c1-15-24-20-9-8-16(11-21(20)25-15)12-22(28)26-18-6-4-10-27(14-18)13-17-5-2-3-7-19(17)23/h2-3,5,7-9,11,18H,4,6,10,12-14H2,1H3,(H,24,25)(H,26,28)
InChIKeyBKHYRDHVFXURRO-UHFFFAOYSA-N
XLogP3.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
CID 118792938
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 25373999
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 131935588
N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125021463
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
CID 95711358
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 56892586
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42594612
3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 95709652
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 56712984
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 25479419

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 131933679) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is Cc1nc2ccc(CC(=O)NC3CCCN(Cc4ccccc4F)C3)cc2[nH]1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is BKHYRDHVFXURRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-15-24-20-9-8-16(11-21(20)25-15)12-22(28)26-18-6-4-10-27(14-18)13-17-5-2-3-7-19(17)23/h2-3,5,7-9,11,18H,4,6,10,12-14H2,1H3,(H,24,25)(H,26,28).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 131933679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).