N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide

C18H29N3O3 — CID 110356585

IUPACN-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(CCCc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H29N3O3/c1-23-15-9-19-18(22)21-13-11-20(12-14-21)10-3-4-16-5-7-17(24-2)8-6-16/h5-8H,3-4,9-15H2,1-2H3,(H,19,22)
InChIKeyKRADQKBNJYCRRO-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.60
Rot. Bonds8

About N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide

N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide (PubChem CID 110356585) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
PubChem CID110356585
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(CCCc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H29N3O3/c1-23-15-9-19-18(22)21-13-11-20(12-14-21)10-3-4-16-5-7-17(24-2)8-6-16/h5-8H,3-4,9-15H2,1-2H3,(H,19,22)
InChIKeyKRADQKBNJYCRRO-UHFFFAOYSA-N
XLogP1.60
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358322
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 110616485
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 113073361

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide (CID 110356585) is N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide is COCCNC(=O)N1CCN(CCCc2ccc(OC)cc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide?
The InChIKey is KRADQKBNJYCRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-23-15-9-19-18(22)21-13-11-20(12-14-21)10-3-4-16-5-7-17(24-2)8-6-16/h5-8H,3-4,9-15H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide?
N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 110356585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).