N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide

C18H24ClN5O — CID 90561847

IUPACN-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESCCc1nccn1CCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN5O/c1-2-17-20-7-8-23(17)12-9-22-10-13-24(14-11-22)18(25)21-16-5-3-15(19)4-6-16/h3-8H,2,9-14H2,1H3,(H,21,25)
InChIKeyQDVNHTGMIXWFAS-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.95
Rot. Bonds5

About N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide

N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 90561847) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID90561847
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC NameN-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESCCc1nccn1CCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN5O/c1-2-17-20-7-8-23(17)12-9-22-10-13-24(14-11-22)18(25)21-16-5-3-15(19)4-6-16/h3-8H,2,9-14H2,1H3,(H,21,25)
InChIKeyQDVNHTGMIXWFAS-UHFFFAOYSA-N
XLogP2.95
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561850
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 90561851
N-(4-butoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561886
N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494071
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90561852
N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561867
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561527
(3,4-difluorophenyl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561564
1-(4-chlorophenyl)-4-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 90561640
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 90561883
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 90561530
N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561341

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide (CID 90561847) is N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide is CCc1nccn1CCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is QDVNHTGMIXWFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-2-17-20-7-8-23(17)12-9-22-10-13-24(14-11-22)18(25)21-16-5-3-15(19)4-6-16/h3-8H,2,9-14H2,1H3,(H,21,25).
What are the key properties of N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 90561847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).