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

C21H27N3O3 — CID 39722655

IUPAC4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccccc2OC)CC1
InChIInChI=1S/C21H27N3O3/c1-3-27-20-11-7-5-9-18(20)23-12-14-24(15-13-23)21(25)22-16-17-8-4-6-10-19(17)26-2/h4-11H,3,12-16H2,1-2H3,(H,22,25)
InChIKeyXVUPFHNFKCMKFO-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.13
Rot. Bonds6

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

4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 39722655) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID39722655
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccccc2OC)CC1
InChIInChI=1S/C21H27N3O3/c1-3-27-20-11-7-5-9-18(20)23-12-14-24(15-13-23)21(25)22-16-17-8-4-6-10-19(17)26-2/h4-11H,3,12-16H2,1-2H3,(H,22,25)
InChIKeyXVUPFHNFKCMKFO-UHFFFAOYSA-N
XLogP3.13
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 60569814
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9430399
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
CID 119071790
4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108119
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 60543780
methyl 4-[4-[(2-methoxyphenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113108106
4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 60542874
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 39722655) is 4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)NCc2ccccc2OC)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is XVUPFHNFKCMKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-27-20-11-7-5-9-18(20)23-12-14-24(15-13-23)21(25)22-16-17-8-4-6-10-19(17)26-2/h4-11H,3,12-16H2,1-2H3,(H,22,25).
What are the key properties of 4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 39722655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).