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

C20H25N3O — CID 86263544

IUPAC2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESCc1cccc(CC(=O)NCC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-16-3-2-4-18(13-16)14-20(24)22-15-17-7-11-23(12-8-17)19-5-9-21-10-6-19/h2-6,9-10,13,17H,7-8,11-12,14-15H2,1H3,(H,22,24)
InChIKeyPJRMRJTVEPAUJF-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.97
Rot. Bonds5

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

2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 86263544) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
PubChem CID86263544
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESCc1cccc(CC(=O)NCC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-16-3-2-4-18(13-16)14-20(24)22-15-17-7-11-23(12-8-17)19-5-9-21-10-6-19/h2-6,9-10,13,17H,7-8,11-12,14-15H2,1H3,(H,22,24)
InChIKeyPJRMRJTVEPAUJF-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108751
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108772
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
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263594
4-ethyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 136520406
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
2-(2-methoxyphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263567
(E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 166217284
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (CID 86263544) is 2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is Cc1cccc(CC(=O)NCC2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is PJRMRJTVEPAUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-3-2-4-18(13-16)14-20(24)22-15-17-7-11-23(12-8-17)19-5-9-21-10-6-19/h2-6,9-10,13,17H,7-8,11-12,14-15H2,1H3,(H,22,24).
What are the key properties of 2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 86263544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).