(1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone

C19H25N3O — CID 124614457

IUPAC(1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c1
InChIInChI=1S/C19H25N3O/c1-21-14-18(20-15-21)19(23)22-12-6-11-17(13-22)10-5-9-16-7-3-2-4-8-16/h2-4,7-8,14-15,17H,5-6,9-13H2,1H3/t17-/m1/s1
InChIKeyWCXCIIYTMXZERM-QGZVFWFLSA-N
MW311.43 g/mol
LogP3.30
Rot. Bonds5

About (1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone

(1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone (PubChem CID 124614457) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone
PubChem CID124614457
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c1
InChIInChI=1S/C19H25N3O/c1-21-14-18(20-15-21)19(23)22-12-6-11-17(13-22)10-5-9-16-7-3-2-4-8-16/h2-4,7-8,14-15,17H,5-6,9-13H2,1H3/t17-/m1/s1
InChIKeyWCXCIIYTMXZERM-QGZVFWFLSA-N
XLogP3.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylimidazol-4-yl)-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098868
(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 125020810
[1-(3-phenylpropyl)triazol-4-yl]-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45237482
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 42245013
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
(1-methylimidazol-4-yl)-[4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 110098870
(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 25380199
1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
CID 103859885
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone (CID 124614457) is (1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone is Cn1cnc(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone?
The InChIKey is WCXCIIYTMXZERM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-21-14-18(20-15-21)19(23)22-12-6-11-17(13-22)10-5-9-16-7-3-2-4-8-16/h2-4,7-8,14-15,17H,5-6,9-13H2,1H3/t17-/m1/s1.
What are the key properties of (1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone?
(1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone has a molecular weight of 311.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124614457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).