N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide

C18H23N3O3 — CID 71783448

IUPACN-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C18H23N3O3/c22-16(17-7-4-12-24-17)14-20-8-10-21(11-9-20)18(23)19-13-15-5-2-1-3-6-15/h1-7,12,16,22H,8-11,13-14H2,(H,19,23)
InChIKeyVNQMKYOBRDIWEO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.84
Rot. Bonds5

About N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide

N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide (PubChem CID 71783448) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
PubChem CID71783448
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C18H23N3O3/c22-16(17-7-4-12-24-17)14-20-8-10-21(11-9-20)18(23)19-13-15-5-2-1-3-6-15/h1-7,12,16,22H,8-11,13-14H2,(H,19,23)
InChIKeyVNQMKYOBRDIWEO-UHFFFAOYSA-N
XLogP1.84
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 71783464
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
CID 71683705
(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97038867
1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 91939147
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
CID 71783234
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 71783190
N-benzylazonane-1-carboxamide
CID 130689649
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide (CID 71783448) is N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN(CC(O)c2ccco2)CC1.
What is the InChIKey of N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide?
The InChIKey is VNQMKYOBRDIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16(17-7-4-12-24-17)14-20-8-10-21(11-9-20)18(23)19-13-15-5-2-1-3-6-15/h1-7,12,16,22H,8-11,13-14H2,(H,19,23).
What are the key properties of N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide?
N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide is sourced from PubChem (CID 71783448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).