(2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid

C17H23FN2O4 — CID 97191658

IUPAC(2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid
SMILESCC(C)Oc1cccc(F)c1[C@H](C(=O)O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H23FN2O4/c1-10(2)24-13-5-3-4-12(18)14(13)15(17(22)23)20-8-6-11(7-9-20)16(19)21/h3-5,10-11,15H,6-9H2,1-2H3,(H2,19,21)(H,22,23)/t15-/m1/s1
InChIKeyRYNZWNMLXATDEX-OAHLLOKOSA-N
MW338.38 g/mol
LogP1.94
Rot. Bonds6

About (2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid

(2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid (PubChem CID 97191658) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is (2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid
PubChem CID97191658
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name(2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid
SMILESCC(C)Oc1cccc(F)c1[C@H](C(=O)O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H23FN2O4/c1-10(2)24-13-5-3-4-12(18)14(13)15(17(22)23)20-8-6-11(7-9-20)16(19)21/h3-5,10-11,15H,6-9H2,1-2H3,(H2,19,21)(H,22,23)/t15-/m1/s1
InChIKeyRYNZWNMLXATDEX-OAHLLOKOSA-N
XLogP1.94
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,6-difluorophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetic acid
CID 97190780
1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
CID 78939276
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
CID 82344904
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
2-(1-benzothiophen-3-yl)-2-(4-carbamoylpiperidin-1-yl)acetic acid
CID 86286383
1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443697
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 40514699
2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 72904648
[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea
CID 71976361
2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol
CID 164893818
2-(2-chloro-6-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83978415

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of (2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid (CID 97191658) is (2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid is CC(C)Oc1cccc(F)c1[C@H](C(=O)O)N1CCC(C(N)=O)CC1.
What is the InChIKey of (2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid?
The InChIKey is RYNZWNMLXATDEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-10(2)24-13-5-3-4-12(18)14(13)15(17(22)23)20-8-6-11(7-9-20)16(19)21/h3-5,10-11,15H,6-9H2,1-2H3,(H2,19,21)(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid?
(2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid has a molecular weight of 338.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-carbamoylpiperidin-1-yl)-2-(2-fluoro-6-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 97191658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).