1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone

C30H38N4O2 — CID 45191679

IUPAC1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCCC(COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1
InChIInChI=1S/C30H38N4O2/c35-30(22-33-17-13-31-24-33)34-14-5-9-28(21-34)23-36-29-10-4-8-27(19-29)20-32-15-11-26(12-16-32)18-25-6-2-1-3-7-25/h1-4,6-8,10,13,17,19,24,26,28H,5,9,11-12,14-16,18,20-23H2
InChIKeyUHNUQKFVTRFFPV-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.66
Rot. Bonds9

About 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone

1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 45191679) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
PubChem CID45191679
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCCC(COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1
InChIInChI=1S/C30H38N4O2/c35-30(22-33-17-13-31-24-33)34-14-5-9-28(21-34)23-36-29-10-4-8-27(19-29)20-32-15-11-26(12-16-32)18-25-6-2-1-3-7-25/h1-4,6-8,10,13,17,19,24,26,28H,5,9,11-12,14-16,18,20-23H2
InChIKeyUHNUQKFVTRFFPV-UHFFFAOYSA-N
XLogP4.66
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone with MolForge

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Related Compounds

1-[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 42165123
[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 42500399
[(3R)-3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 42168586
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90533380
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 40640492
1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 70707433
5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 45228691
1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 122040637
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45232756

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone (CID 45191679) is 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)N1CCCC(COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1.
What is the InChIKey of 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone?
The InChIKey is UHNUQKFVTRFFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c35-30(22-33-17-13-31-24-33)34-14-5-9-28(21-34)23-36-29-10-4-8-27(19-29)20-32-15-11-26(12-16-32)18-25-6-2-1-3-7-25/h1-4,6-8,10,13,17,19,24,26,28H,5,9,11-12,14-16,18,20-23H2.
What are the key properties of 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone?
1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 486.66 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-[(4-benzylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 45191679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).