N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide

C13H19N3O3 — CID 108895534

IUPACN-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cc(O)cc(O)c2)CC1
InChIInChI=1S/C13H19N3O3/c1-2-15-3-5-16(6-4-15)13(19)14-10-7-11(17)9-12(18)8-10/h7-9,17-18H,2-6H2,1H3,(H,14,19)
InChIKeyJIFRCPUBMZWYSK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.27
Rot. Bonds2

About N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide

N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide (PubChem CID 108895534) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide
PubChem CID108895534
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cc(O)cc(O)c2)CC1
InChIInChI=1S/C13H19N3O3/c1-2-15-3-5-16(6-4-15)13(19)14-10-7-11(17)9-12(18)8-10/h7-9,17-18H,2-6H2,1H3,(H,14,19)
InChIKeyJIFRCPUBMZWYSK-UHFFFAOYSA-N
XLogP1.27
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108895469
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid
CID 61406321
N-(3,5-dihydroxyphenyl)morpholine-4-carboxamide
CID 108895379
N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833
4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dihydroxyphenyl)piperazine-1-carboxamide
CID 108895611
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
2-[4-[(3,5-dimethylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61189511
N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
CID 47090156
4-acetyl-N-(3,4,5-trihydroxyphenyl)piperazine-1-carboxamide
CID 108871726

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide (CID 108895534) is N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)Nc2cc(O)cc(O)c2)CC1.
What is the InChIKey of N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide?
The InChIKey is JIFRCPUBMZWYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-15-3-5-16(6-4-15)13(19)14-10-7-11(17)9-12(18)8-10/h7-9,17-18H,2-6H2,1H3,(H,14,19).
What are the key properties of N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide?
N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 108895534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).