N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide

C16H25N3O2 — CID 113104950

IUPACN-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(CCOC)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-3-14-4-6-15(7-5-14)17-16(20)19-10-8-18(9-11-19)12-13-21-2/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeySOHSMSRZWFVRSG-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.04
Rot. Bonds5

About N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide

N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 113104950) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID113104950
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(CCOC)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-3-14-4-6-15(7-5-14)17-16(20)19-10-8-18(9-11-19)12-13-21-2/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeySOHSMSRZWFVRSG-UHFFFAOYSA-N
XLogP2.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113104985
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105247
N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105254
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
(3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide
CID 125227524
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
methyl 4-[[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]amino]benzoate
CID 113109144
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide (CID 113104950) is N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(CCOC)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is SOHSMSRZWFVRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-14-4-6-15(7-5-14)17-16(20)19-10-8-18(9-11-19)12-13-21-2/h4-7H,3,8-13H2,1-2H3,(H,17,20).
What are the key properties of N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide?
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).