N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide

C26H34FN3O — CID 110093298

IUPACN-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCCC(c2ccc(Cc3ccc(F)cc3)cn2)C1)C1CCCCC1
InChIInChI=1S/C26H34FN3O/c1-29(24-7-3-2-4-8-24)26(31)19-30-15-5-6-22(18-30)25-14-11-21(17-28-25)16-20-9-12-23(27)13-10-20/h9-14,17,22,24H,2-8,15-16,18-19H2,1H3
InChIKeyDFEOHUWDHRGJKZ-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.78
Rot. Bonds6

About N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide

N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide (PubChem CID 110093298) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
PubChem CID110093298
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC NameN-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCCC(c2ccc(Cc3ccc(F)cc3)cn2)C1)C1CCCCC1
InChIInChI=1S/C26H34FN3O/c1-29(24-7-3-2-4-8-24)26(31)19-30-15-5-6-22(18-30)25-14-11-21(17-28-25)16-20-9-12-23(27)13-10-20/h9-14,17,22,24H,2-8,15-16,18-19H2,1H3
InChIKeyDFEOHUWDHRGJKZ-UHFFFAOYSA-N
XLogP4.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
CID 127250136
N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 92615559
2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide
CID 92615698
[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110264021
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110264862
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide
CID 91837284
4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 125007611
N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110264925
5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
CID 125009856
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
2-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 110255043

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide (CID 110093298) is N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCCC(c2ccc(Cc3ccc(F)cc3)cn2)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is DFEOHUWDHRGJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-29(24-7-3-2-4-8-24)26(31)19-30-15-5-6-22(18-30)25-14-11-21(17-28-25)16-20-9-12-23(27)13-10-20/h9-14,17,22,24H,2-8,15-16,18-19H2,1H3.
What are the key properties of N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide?
N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 423.58 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 110093298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).