(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide

C19H24N4O4 — CID 97435879

IUPAC(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESNC(=O)c1cccc(NC(=O)N2CCN(Cc3ccco3)[C@H](CCO)C2)c1
InChIInChI=1S/C19H24N4O4/c20-18(25)14-3-1-4-15(11-14)21-19(26)23-8-7-22(16(12-23)6-9-24)13-17-5-2-10-27-17/h1-5,10-11,16,24H,6-9,12-13H2,(H2,20,25)(H,21,26)/t16-/m1/s1
InChIKeyOKOQWJSNUSLJLH-MRXNPFEDSA-N
MW372.43 g/mol
LogP1.48
Rot. Bonds6

About (3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide

(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 97435879) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is (3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID97435879
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESNC(=O)c1cccc(NC(=O)N2CCN(Cc3ccco3)[C@H](CCO)C2)c1
InChIInChI=1S/C19H24N4O4/c20-18(25)14-3-1-4-15(11-14)21-19(26)23-8-7-22(16(12-23)6-9-24)13-17-5-2-10-27-17/h1-5,10-11,16,24H,6-9,12-13H2,(H2,20,25)(H,21,26)/t16-/m1/s1
InChIKeyOKOQWJSNUSLJLH-MRXNPFEDSA-N
XLogP1.48
TPSA112.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 126438969
N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 72904530
4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 6464316
N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557
N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 95268952
ethyl 3-[[(3S,4S)-3-ethyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carbonyl]amino]benzoate
CID 163137510
N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154903512
dimethyl 5-[[4-(furan-2-ylmethyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 3730921
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide
CID 44577727
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of (3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide (CID 97435879) is (3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide is NC(=O)c1cccc(NC(=O)N2CCN(Cc3ccco3)[C@H](CCO)C2)c1.
What is the InChIKey of (3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is OKOQWJSNUSLJLH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O4/c20-18(25)14-3-1-4-15(11-14)21-19(26)23-8-7-22(16(12-23)6-9-24)13-17-5-2-10-27-17/h1-5,10-11,16,24H,6-9,12-13H2,(H2,20,25)(H,21,26)/t16-/m1/s1.
What are the key properties of (3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 97435879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).