(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C20H27N3O2 — CID 90493400

IUPAC(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cn3ccnc3C(C)C)CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-15(2)19-21-10-13-23(19)14-16-8-11-22(12-9-16)20(24)17-4-6-18(25-3)7-5-17/h4-7,10,13,15-16H,8-9,11-12,14H2,1-3H3
InChIKeyQEHQVFMSAVYKJR-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.57
Rot. Bonds5

About (4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90493400) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90493400
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cn3ccnc3C(C)C)CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-15(2)19-21-10-13-23(19)14-16-8-11-22(12-9-16)20(24)17-4-6-18(25-3)7-5-17/h4-7,10,13,15-16H,8-9,11-12,14H2,1-3H3
InChIKeyQEHQVFMSAVYKJR-UHFFFAOYSA-N
XLogP3.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90493403
(4-piperidin-1-ylsulfonylphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492906
(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492826
(5-chloro-2-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493407
(7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 52992563
(5-bromofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493421
1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 90492830
(4-methylsulfanylphenyl)-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]methanone
CID 163353374
1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 90492814
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494347
N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide
CID 163351639
5-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493357

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90493400) is (4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Cn3ccnc3C(C)C)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is QEHQVFMSAVYKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)19-21-10-13-23(19)14-16-8-11-22(12-9-16)20(24)17-4-6-18(25-3)7-5-17/h4-7,10,13,15-16H,8-9,11-12,14H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90493400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).