(2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone

C18H24N4O3 — CID 119111699

IUPAC(2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(NCc3ncc[nH]3)CC2)c(OC)c1
InChIInChI=1S/C18H24N4O3/c1-24-14-3-4-15(16(11-14)25-2)18(23)22-9-5-13(6-10-22)21-12-17-19-7-8-20-17/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyZMZBKIYSAKGNID-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.82
Rot. Bonds6

About (2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 119111699) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
PubChem CID119111699
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(NCc3ncc[nH]3)CC2)c(OC)c1
InChIInChI=1S/C18H24N4O3/c1-24-14-3-4-15(16(11-14)25-2)18(23)22-9-5-13(6-10-22)21-12-17-19-7-8-20-17/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyZMZBKIYSAKGNID-UHFFFAOYSA-N
XLogP1.82
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111056
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine
CID 29183775
(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 66552003
(2,4-dimethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999763
N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 47028211
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
(2,4-dimethoxyphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816641

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone (CID 119111699) is (2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(NCc3ncc[nH]3)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is ZMZBKIYSAKGNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-24-14-3-4-15(16(11-14)25-2)18(23)22-9-5-13(6-10-22)21-12-17-19-7-8-20-17/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of (2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119111699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).