3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

C23H25ClN4O — CID 10112146

IUPAC3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(CC(c1ccc(Cl)cc1)c1ccccn1)N1CCC(Cc2cnc[nH]2)CC1
InChIInChI=1S/C23H25ClN4O/c24-19-6-4-18(5-7-19)21(22-3-1-2-10-26-22)14-23(29)28-11-8-17(9-12-28)13-20-15-25-16-27-20/h1-7,10,15-17,21H,8-9,11-14H2,(H,25,27)
InChIKeyRUJOSMNRFKUHKE-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.46
Rot. Bonds6

About 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 10112146) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID10112146
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(CC(c1ccc(Cl)cc1)c1ccccn1)N1CCC(Cc2cnc[nH]2)CC1
InChIInChI=1S/C23H25ClN4O/c24-19-6-4-18(5-7-19)21(22-3-1-2-10-26-22)14-23(29)28-11-8-17(9-12-28)13-20-15-25-16-27-20/h1-7,10,15-17,21H,8-9,11-14H2,(H,25,27)
InChIKeyRUJOSMNRFKUHKE-UHFFFAOYSA-N
XLogP4.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one with MolForge

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Related Compounds

4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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BU-E 47
CID 14660352
(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 46870040
Imidazole derivative 8
CID 54670731
3-(4-Chloro-phenyl)-N-[4-(1H-imidazol-4-yl)-butyl]-3-pyridin-2-yl-propionamide
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3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(3-chlorophenyl)propanamide
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3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(4-chlorophenyl)propanamide
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3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-N-methyl-3-pyridin-2-yl-propionamide
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CID 23562989
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide
CID 44448747
4-[(2S)-13-chloro-10-(1H-imidazol-5-ylmethyl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
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CID 147338912

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 10112146) is 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is O=C(CC(c1ccc(Cl)cc1)c1ccccn1)N1CCC(Cc2cnc[nH]2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is RUJOSMNRFKUHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c24-19-6-4-18(5-7-19)21(22-3-1-2-10-26-22)14-23(29)28-11-8-17(9-12-28)13-20-15-25-16-27-20/h1-7,10,15-17,21H,8-9,11-14H2,(H,25,27).
What are the key properties of 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 408.93 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 10112146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).