[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone

C24H28N4O3 — CID 39975735

IUPAC[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESCOc1cc(CCC2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)cc(OC)c1
InChIInChI=1S/C24H28N4O3/c1-30-21-13-19(14-22(15-21)31-2)4-3-18-7-10-27(11-8-18)24(29)20-5-6-23(26-16-20)28-12-9-25-17-28/h5-6,9,12-18H,3-4,7-8,10-11H2,1-2H3
InChIKeyCAGAWXXDJDSOCX-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.77
Rot. Bonds7

About [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone

[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone (PubChem CID 39975735) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
PubChem CID39975735
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESCOc1cc(CCC2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)cc(OC)c1
InChIInChI=1S/C24H28N4O3/c1-30-21-13-19(14-22(15-21)31-2)4-3-18-7-10-27(11-8-18)24(29)20-5-6-23(26-16-20)28-12-9-25-17-28/h5-6,9,12-18H,3-4,7-8,10-11H2,1-2H3
InChIKeyCAGAWXXDJDSOCX-UHFFFAOYSA-N
XLogP3.77
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-methylsulfanyl-3-pyridinyl)methanone
CID 86885379
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 47017711
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 38210690
(6-imidazol-1-yl-3-pyridinyl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124963732
[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 95583611
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
(2,5-difluorophenyl)-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]methanone
CID 47057916
(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 119580052

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone (CID 39975735) is [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone is COc1cc(CCC2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)cc(OC)c1.
What is the InChIKey of [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
The InChIKey is CAGAWXXDJDSOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-21-13-19(14-22(15-21)31-2)4-3-18-7-10-27(11-8-18)24(29)20-5-6-23(26-16-20)28-12-9-25-17-28/h5-6,9,12-18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone has a molecular weight of 420.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 39975735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).