1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide

C14H21N3O3 — CID 81133473

IUPAC1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
SMILESCOc1cccc(C(O)CN2CCNCC2C(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-20-11-4-2-3-10(7-11)13(18)9-17-6-5-16-8-12(17)14(15)19/h2-4,7,12-13,16,18H,5-6,8-9H2,1H3,(H2,15,19)
InChIKeyMAFQIEZHIINSAJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.51
Rot. Bonds5

About 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide

1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide (PubChem CID 81133473) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
PubChem CID81133473
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
SMILESCOc1cccc(C(O)CN2CCNCC2C(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-20-11-4-2-3-10(7-11)13(18)9-17-6-5-16-8-12(17)14(15)19/h2-4,7,12-13,16,18H,5-6,8-9H2,1H3,(H2,15,19)
InChIKeyMAFQIEZHIINSAJ-UHFFFAOYSA-N
XLogP-0.51
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808
1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 102877782
N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 111380972
2-(2,6-dimethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81133921
1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 81133458
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 81133466
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197650
1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 104792861
2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978037
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide?
The IUPAC name of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide (CID 81133473) is 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide is COc1cccc(C(O)CN2CCNCC2C(N)=O)c1.
What is the InChIKey of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide?
The InChIKey is MAFQIEZHIINSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-11-4-2-3-10(7-11)13(18)9-17-6-5-16-8-12(17)14(15)19/h2-4,7,12-13,16,18H,5-6,8-9H2,1H3,(H2,15,19).
What are the key properties of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide?
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 81133473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).