2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide

C21H27N3O — CID 72915989

IUPAC2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
SMILESCCN1CCC(CC(=O)NC(c2ccccc2)c2ccncc2)CC1
InChIInChI=1S/C21H27N3O/c1-2-24-14-10-17(11-15-24)16-20(25)23-21(18-6-4-3-5-7-18)19-8-12-22-13-9-19/h3-9,12-13,17,21H,2,10-11,14-16H2,1H3,(H,23,25)
InChIKeyVWPNXJFNLKNYOA-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.41
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide

2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide (PubChem CID 72915989) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
PubChem CID72915989
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
SMILESCCN1CCC(CC(=O)NC(c2ccccc2)c2ccncc2)CC1
InChIInChI=1S/C21H27N3O/c1-2-24-14-10-17(11-15-24)16-20(25)23-21(18-6-4-3-5-7-18)19-8-12-22-13-9-19/h3-9,12-13,17,21H,2,10-11,14-16H2,1H3,(H,23,25)
InChIKeyVWPNXJFNLKNYOA-UHFFFAOYSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95571044
2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
CID 97203687
2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
CID 72884358
N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide
CID 10320217
N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide
CID 10478310
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide
CID 95150141
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(1-propylpiperidin-4-yl)acetamide
CID 72872753
N-benzhydryl-1-ethylpiperidin-4-amine
CID 3821522
N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide
CID 10344048
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide
CID 97205946

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide (CID 72915989) is 2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide is CCN1CCC(CC(=O)NC(c2ccccc2)c2ccncc2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The InChIKey is VWPNXJFNLKNYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-24-14-10-17(11-15-24)16-20(25)23-21(18-6-4-3-5-7-18)19-8-12-22-13-9-19/h3-9,12-13,17,21H,2,10-11,14-16H2,1H3,(H,23,25).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 72915989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).