1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone

C22H30N4O — CID 70767253

IUPAC1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
SMILESCn1ccnc1C1CCN(C(=O)CN2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H30N4O/c1-24-16-11-23-22(24)20-9-14-26(15-10-20)21(27)17-25-12-7-19(8-13-25)18-5-3-2-4-6-18/h2-6,11,16,19-20H,7-10,12-15,17H2,1H3
InChIKeyRDTJJOJOGXDNPU-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.01
Rot. Bonds4

About 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone

1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone (PubChem CID 70767253) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
PubChem CID70767253
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
SMILESCn1ccnc1C1CCN(C(=O)CN2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H30N4O/c1-24-16-11-23-22(24)20-9-14-26(15-10-20)21(27)17-25-12-7-19(8-13-25)18-5-3-2-4-6-18/h2-6,11,16,19-20H,7-10,12-15,17H2,1H3
InChIKeyRDTJJOJOGXDNPU-UHFFFAOYSA-N
XLogP3.01
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 72840049
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 72896741
2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826194
2-(azepan-1-yl)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72854261
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 70761884
3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 136517806
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 74245032
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 124750043

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone (CID 70767253) is 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone is Cn1ccnc1C1CCN(C(=O)CN2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone?
The InChIKey is RDTJJOJOGXDNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-24-16-11-23-22(24)20-9-14-26(15-10-20)21(27)17-25-12-7-19(8-13-25)18-5-3-2-4-6-18/h2-6,11,16,19-20H,7-10,12-15,17H2,1H3.
What are the key properties of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone?
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone has a molecular weight of 366.51 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 70767253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).