N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide

C21H29ClN4O — CID 26410836

IUPACN-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCCc1nc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c(C)[nH]1
InChIInChI=1S/C21H29ClN4O/c1-3-20-23-15(2)19(24-20)14-26-12-10-16(11-13-26)8-9-21(27)25-18-7-5-4-6-17(18)22/h4-7,16H,3,8-14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyUJHJSHHWBXHPPQ-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.56
Rot. Bonds7

About N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide

N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 26410836) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide
PubChem CID26410836
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC NameN-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCCc1nc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c(C)[nH]1
InChIInChI=1S/C21H29ClN4O/c1-3-20-23-15(2)19(24-20)14-26-12-10-16(11-13-26)8-9-21(27)25-18-7-5-4-6-17(18)22/h4-7,16H,3,8-14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyUJHJSHHWBXHPPQ-UHFFFAOYSA-N
XLogP4.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide (CID 26410836) is N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide is CCc1nc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c(C)[nH]1.
What is the InChIKey of N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is UJHJSHHWBXHPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O/c1-3-20-23-15(2)19(24-20)14-26-12-10-16(11-13-26)8-9-21(27)25-18-7-5-4-6-17(18)22/h4-7,16H,3,8-14H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide?
N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 388.94 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 26410836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).