[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone

C22H25N3O — CID 90492768

IUPAC[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
SMILESCCc1nccn1CC1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H25N3O/c1-2-21-23-11-14-25(21)16-17-9-12-24(13-10-17)22(26)20-8-7-18-5-3-4-6-19(18)15-20/h3-8,11,14-15,17H,2,9-10,12-13,16H2,1H3
InChIKeyUZQAGDUEFKUYFT-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.15
Rot. Bonds4

About [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone

[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 90492768) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
PubChem CID90492768
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
SMILESCCc1nccn1CC1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H25N3O/c1-2-21-23-11-14-25(21)16-17-9-12-24(13-10-17)22(26)20-8-7-18-5-3-4-6-19(18)15-20/h3-8,11,14-15,17H,2,9-10,12-13,16H2,1H3
InChIKeyUZQAGDUEFKUYFT-UHFFFAOYSA-N
XLogP4.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756
[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493255
(2-bromophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492757
4-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 90493306
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 90493290
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90493280
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 90493325
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-propylpentan-1-one
CID 90492731
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 155977046
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493400

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone (CID 90492768) is [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone is CCc1nccn1CC1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is UZQAGDUEFKUYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-21-23-11-14-25(21)16-17-9-12-24(13-10-17)22(26)20-8-7-18-5-3-4-6-19(18)15-20/h3-8,11,14-15,17H,2,9-10,12-13,16H2,1H3.
What are the key properties of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone?
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 90492768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).