2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid

C22H30N2O4 — CID 132972613

IUPAC2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C22H30N2O4/c25-19(15-22(16-20(26)27)11-5-2-6-12-22)24-13-9-18(10-14-24)23-21(28)17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,23,28)(H,26,27)
InChIKeyPKPWMCUZSXQUSE-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.22
Rot. Bonds6

About 2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 132972613) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID132972613
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C22H30N2O4/c25-19(15-22(16-20(26)27)11-5-2-6-12-22)24-13-9-18(10-14-24)23-21(28)17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,23,28)(H,26,27)
InChIKeyPKPWMCUZSXQUSE-UHFFFAOYSA-N
XLogP3.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119125137
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]benzamide
CID 24645620
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 119698223
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 91641898
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide
CID 108549480
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid (CID 132972613) is 2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CCCCC1.
What is the InChIKey of 2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is PKPWMCUZSXQUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c25-19(15-22(16-20(26)27)11-5-2-6-12-22)24-13-9-18(10-14-24)23-21(28)17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,23,28)(H,26,27).
What are the key properties of 2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 386.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 132972613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).