N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide

C15H22ClN3O2 — CID 113104912

IUPACN-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-21-11-10-18-6-8-19(9-7-18)15(20)17-12-13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyRJHFOKAEYCJMLI-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.81
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 113104912) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID113104912
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-21-11-10-18-6-8-19(9-7-18)15(20)17-12-13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyRJHFOKAEYCJMLI-UHFFFAOYSA-N
XLogP1.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
N-[(4-chlorophenyl)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108899252
N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119058526
methyl 4-[(4-chlorophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 108899356
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 121496893
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 109018277
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-[2-(3-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108183

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide (CID 113104912) is N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide is COCCN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is RJHFOKAEYCJMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-21-11-10-18-6-8-19(9-7-18)15(20)17-12-13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3,(H,17,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).