2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide

C20H25N3O2 — CID 121108751

IUPAC2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-3-2-4-19(13-16)25-15-20(24)22-14-17-7-11-23(12-8-17)18-5-9-21-10-6-18/h2-6,9-10,13,17H,7-8,11-12,14-15H2,1H3,(H,22,24)
InChIKeyIBSYWQXICSKKJJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.80
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide

2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 121108751) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
PubChem CID121108751
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-3-2-4-19(13-16)25-15-20(24)22-14-17-7-11-23(12-8-17)18-5-9-21-10-6-18/h2-6,9-10,13,17H,7-8,11-12,14-15H2,1H3,(H,22,24)
InChIKeyIBSYWQXICSKKJJ-UHFFFAOYSA-N
XLogP2.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
2-(2-methoxyphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263567
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 16896180
2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619766
3-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 86263506
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide
CID 95212752
(E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 166217284
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 120943410
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119620664

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (CID 121108751) is 2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is Cc1cccc(OCC(=O)NCC2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is IBSYWQXICSKKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-3-2-4-19(13-16)25-15-20(24)22-14-17-7-11-23(12-8-17)18-5-9-21-10-6-18/h2-6,9-10,13,17H,7-8,11-12,14-15H2,1H3,(H,22,24).
What are the key properties of 2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 121108751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).