2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid

C14H17ClN2O3 — CID 82344904

IUPAC2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
SMILESNC(=O)C1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O3/c15-11-3-1-9(2-4-11)12(14(19)20)17-7-5-10(6-8-17)13(16)18/h1-4,10,12H,5-8H2,(H2,16,18)(H,19,20)
InChIKeyIEBGTYMGIBEEOS-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid

2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid (PubChem CID 82344904) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
PubChem CID82344904
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
SMILESNC(=O)C1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O3/c15-11-3-1-9(2-4-11)12(14(19)20)17-7-5-10(6-8-17)13(16)18/h1-4,10,12H,5-8H2,(H2,16,18)(H,19,20)
InChIKeyIEBGTYMGIBEEOS-UHFFFAOYSA-N
XLogP1.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 82345122
2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 82345110
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 97135003
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 75365752
1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 51698188
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-(1-benzothiophen-3-yl)-2-(4-carbamoylpiperidin-1-yl)acetic acid
CID 86286383

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid?
The IUPAC name of 2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid (CID 82344904) is 2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid?
The canonical SMILES for 2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid is NC(=O)C1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid?
The InChIKey is IEBGTYMGIBEEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-3-1-9(2-4-11)12(14(19)20)17-7-5-10(6-8-17)13(16)18/h1-4,10,12H,5-8H2,(H2,16,18)(H,19,20).
What are the key properties of 2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid?
2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid has a molecular weight of 296.75 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid is sourced from PubChem (CID 82344904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).