N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide

C21H26ClN3O2 — CID 110357396

IUPACN-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1CN1CCN(C(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-2-27-20-9-4-3-7-18(20)16-24-10-12-25(13-11-24)21(26)23-15-17-6-5-8-19(22)14-17/h3-9,14H,2,10-13,15-16H2,1H3,(H,23,26)
InChIKeyPIMUAURIWPFTFK-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.77
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide

N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 110357396) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID110357396
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1CN1CCN(C(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-2-27-20-9-4-3-7-18(20)16-24-10-12-25(13-11-24)21(26)23-15-17-6-5-8-19(22)14-17/h3-9,14H,2,10-13,15-16H2,1H3,(H,23,26)
InChIKeyPIMUAURIWPFTFK-UHFFFAOYSA-N
XLogP3.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110613303
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 110357392
N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide
CID 25468861
4-(1,3-benzodioxol-5-ylmethyl)-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 110301206
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide (CID 110357396) is N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide is CCOc1ccccc1CN1CCN(C(=O)NCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is PIMUAURIWPFTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-2-27-20-9-4-3-7-18(20)16-24-10-12-25(13-11-24)21(26)23-15-17-6-5-8-19(22)14-17/h3-9,14H,2,10-13,15-16H2,1H3,(H,23,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide?
N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 110357396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).