[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone

C22H30N4O — CID 96576461

IUPAC[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCC[C@@H](c3nccn3C)C2)(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O/c1-24-14-10-22(11-15-24,19-8-4-3-5-9-19)21(27)26-13-6-7-18(17-26)20-23-12-16-25(20)2/h3-5,8-9,12,16,18H,6-7,10-11,13-15,17H2,1-2H3/t18-/m1/s1
InChIKeyFHKBGGAMAJMWJX-GOSISDBHSA-N
MW366.51 g/mol
LogP2.79
Rot. Bonds3

About [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone

[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone (PubChem CID 96576461) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone
PubChem CID96576461
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCC[C@@H](c3nccn3C)C2)(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O/c1-24-14-10-22(11-15-24,19-8-4-3-5-9-19)21(27)26-13-6-7-18(17-26)20-23-12-16-25(20)2/h3-5,8-9,12,16,18H,6-7,10-11,13-15,17H2,1-2H3/t18-/m1/s1
InChIKeyFHKBGGAMAJMWJX-GOSISDBHSA-N
XLogP2.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 70748304
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 96573315
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127
2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one
CID 72884097
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 99699860
1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 125162266
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 97191139
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 53192155
[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124997224
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone?
The IUPAC name of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone (CID 96576461) is [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone?
The canonical SMILES for [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2CCC[C@@H](c3nccn3C)C2)(c2ccccc2)CC1.
What is the InChIKey of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone?
The InChIKey is FHKBGGAMAJMWJX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N4O/c1-24-14-10-22(11-15-24,19-8-4-3-5-9-19)21(27)26-13-6-7-18(17-26)20-23-12-16-25(20)2/h3-5,8-9,12,16,18H,6-7,10-11,13-15,17H2,1-2H3/t18-/m1/s1.
What are the key properties of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone?
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone has a molecular weight of 366.51 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone is sourced from PubChem (CID 96576461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).