(2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide

C18H21N3O5 — CID 97453372

IUPAC(2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)Nc2ccc(OCc3ccco3)cc2)[C@H]1CCO
InChIInChI=1S/C18H21N3O5/c22-10-7-16-17(23)19-8-9-21(16)18(24)20-13-3-5-14(6-4-13)26-12-15-2-1-11-25-15/h1-6,11,16,22H,7-10,12H2,(H,19,23)(H,20,24)/t16-/m0/s1
InChIKeyZEYOLNZWZDTSHO-INIZCTEOSA-N
MW359.38 g/mol
LogP1.57
Rot. Bonds6

About (2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide

(2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide (PubChem CID 97453372) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is (2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
PubChem CID97453372
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name(2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)Nc2ccc(OCc3ccco3)cc2)[C@H]1CCO
InChIInChI=1S/C18H21N3O5/c22-10-7-16-17(23)19-8-9-21(16)18(24)20-13-3-5-14(6-4-13)26-12-15-2-1-11-25-15/h1-6,11,16,22H,7-10,12H2,(H,19,23)(H,20,24)/t16-/m0/s1
InChIKeyZEYOLNZWZDTSHO-INIZCTEOSA-N
XLogP1.57
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97453373
4-[3-(furan-2-yl)propanoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 45197759
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
(2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide
CID 97445979
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
methyl 3-[[2-[3-oxo-1-[(4-phenylmethoxyphenyl)carbamoyl]piperazin-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 2813546
(5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97455348
(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97437593
N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 63604915
3-(furan-2-yl)-N-[4-(2-hydroxyethoxy)phenyl]propanamide
CID 111116197
(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one
CID 95200368
1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
CID 118777100

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide (CID 97453372) is (2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide is O=C1NCCN(C(=O)Nc2ccc(OCc3ccco3)cc2)[C@H]1CCO.
What is the InChIKey of (2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is ZEYOLNZWZDTSHO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-10-7-16-17(23)19-8-9-21(16)18(24)20-13-3-5-14(6-4-13)26-12-15-2-1-11-25-15/h1-6,11,16,22H,7-10,12H2,(H,19,23)(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide?
(2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 97453372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).