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

C19H24FN3O4 — CID 97453606

IUPAC(3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccoc3)[C@H](CCO)C2)c(F)c1
InChIInChI=1S/C19H24FN3O4/c1-26-16-2-3-18(17(20)10-16)21-19(25)23-7-6-22(15(12-23)4-8-24)11-14-5-9-27-13-14/h2-3,5,9-10,13,15,24H,4,6-8,11-12H2,1H3,(H,21,25)/t15-/m1/s1
InChIKeyBSRXEPVFMSDKTN-OAHLLOKOSA-N
MW377.42 g/mol
LogP2.53
Rot. Bonds6

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

(3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 97453606) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is (3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID97453606
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name(3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccoc3)[C@H](CCO)C2)c(F)c1
InChIInChI=1S/C19H24FN3O4/c1-26-16-2-3-18(17(20)10-16)21-19(25)23-7-6-22(15(12-23)4-8-24)11-14-5-9-27-13-14/h2-3,5,9-10,13,15,24H,4,6-8,11-12H2,1H3,(H,21,25)/t15-/m1/s1
InChIKeyBSRXEPVFMSDKTN-OAHLLOKOSA-N
XLogP2.53
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide
CID 72866097
[(3S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 95895515
[(3R)-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 95894310
2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210132
[(3S)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(1-methylindol-6-yl)methanone
CID 97205546
N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 72872160
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-propan-2-ylpiperazin-2-yl]ethanol
CID 45222201
[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72841560
2-[(2S)-1-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51635847
2-(4-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 22264995
2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 51903567
2-[(2R)-4-[(3,4-difluorophenyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98576280

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of (3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide (CID 97453606) is (3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3ccoc3)[C@H](CCO)C2)c(F)c1.
What is the InChIKey of (3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is BSRXEPVFMSDKTN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-26-16-2-3-18(17(20)10-16)21-19(25)23-7-6-22(15(12-23)4-8-24)11-14-5-9-27-13-14/h2-3,5,9-10,13,15,24H,4,6-8,11-12H2,1H3,(H,21,25)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
(3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 97453606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).