N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide

C20H27ClN4O — CID 90493968

IUPACN-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCCc1nccn1CC1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C20H27ClN4O/c1-3-19-22-8-11-25(19)13-16-6-9-24(10-7-16)14-20(26)23-17-5-4-15(2)18(21)12-17/h4-5,8,11-12,16H,3,6-7,9-10,13-14H2,1-2H3,(H,23,26)
InChIKeyPYUWFARKPFHSAY-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.76
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 90493968) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID90493968
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCCc1nccn1CC1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C20H27ClN4O/c1-3-19-22-8-11-25(19)13-16-6-9-24(10-7-16)14-20(26)23-17-5-4-15(2)18(21)12-17/h4-5,8,11-12,16H,3,6-7,9-10,13-14H2,1-2H3,(H,23,26)
InChIKeyPYUWFARKPFHSAY-UHFFFAOYSA-N
XLogP3.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 90493958
N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494424
N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493955
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90493982
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90493981
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90493984
N-cyclopropyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494026
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 90493960
N-cyclohexyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493994
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494071
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923478

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 90493968) is N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is CCc1nccn1CC1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is PYUWFARKPFHSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-3-19-22-8-11-25(19)13-16-6-9-24(10-7-16)14-20(26)23-17-5-4-15(2)18(21)12-17/h4-5,8,11-12,16H,3,6-7,9-10,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 374.92 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90493968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).