N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide

C20H25N3O — CID 91781720

IUPACN-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCc1cnccc1CNC(=O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-16-13-21-10-7-19(16)14-22-20(24)15-23-11-8-18(9-12-23)17-5-3-2-4-6-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H,22,24)
InChIKeyOFLVAZSJYMHHJT-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.89
Rot. Bonds5

About N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide

N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 91781720) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID91781720
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCc1cnccc1CNC(=O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-16-13-21-10-7-19(16)14-22-20(24)15-23-11-8-18(9-12-23)17-5-3-2-4-6-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H,22,24)
InChIKeyOFLVAZSJYMHHJT-UHFFFAOYSA-N
XLogP2.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904532
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605
2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 129351669
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
2-[(3R)-3-phenylpyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95317472
3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide (CID 91781720) is N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide is Cc1cnccc1CNC(=O)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is OFLVAZSJYMHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-13-21-10-7-19(16)14-22-20(24)15-23-11-8-18(9-12-23)17-5-3-2-4-6-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H,22,24).
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide?
N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 91781720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).