1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone

C17H21N3O — CID 110855809

IUPAC1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O/c21-17(13-19-11-8-18-14-19)20-9-6-16(7-10-20)12-15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12-13H2
InChIKeyNMRYOMUDMJMJPA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone

1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone (PubChem CID 110855809) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
PubChem CID110855809
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O/c21-17(13-19-11-8-18-14-19)20-9-6-16(7-10-20)12-15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12-13H2
InChIKeyNMRYOMUDMJMJPA-UHFFFAOYSA-N
XLogP2.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90533380
5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 56710639
1-[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 42165123
1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 45191679
1-(4-benzylpiperidin-1-yl)-2-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone
CID 23965134
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90492606
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 17468588

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone (CID 110855809) is 1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone?
The InChIKey is NMRYOMUDMJMJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(13-19-11-8-18-14-19)20-9-6-16(7-10-20)12-15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12-13H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone?
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone has a molecular weight of 283.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 110855809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).