[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C20H28N4O — CID 90493255

IUPAC[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1nccn1CC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C20H28N4O/c1-4-19-21-11-14-24(19)15-16-9-12-23(13-10-16)20(25)17-5-7-18(8-6-17)22(2)3/h5-8,11,14,16H,4,9-10,12-13,15H2,1-3H3
InChIKeyOWOOMDWHKWKLFS-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.06
Rot. Bonds5

About [4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90493255) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90493255
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1nccn1CC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C20H28N4O/c1-4-19-21-11-14-24(19)15-16-9-12-23(13-10-16)20(25)17-5-7-18(8-6-17)22(2)3/h5-8,11,14,16H,4,9-10,12-13,15H2,1-3H3
InChIKeyOWOOMDWHKWKLFS-UHFFFAOYSA-N
XLogP3.06
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756
4-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 90493306
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 90492768
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
(2-bromophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492757
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 90493290
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-propylpentan-1-one
CID 90492731
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
2-(4-chlorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492788

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90493255) is [4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone is CCc1nccn1CC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is OWOOMDWHKWKLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-19-21-11-14-24(19)15-16-9-12-23(13-10-16)20(25)17-5-7-18(8-6-17)22(2)3/h5-8,11,14,16H,4,9-10,12-13,15H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90493255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).