2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid

C22H32N2O3 — CID 129007942

IUPAC2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H32N2O3/c1-2-23(16-21(25)26)20-12-14-24(15-13-20)22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,2,8-16H2,1H3,(H,25,26)
InChIKeyLPUFIPSLVVABJU-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.36
Rot. Bonds6

About 2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid (PubChem CID 129007942) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
PubChem CID129007942
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H32N2O3/c1-2-23(16-21(25)26)20-12-14-24(15-13-20)22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,2,8-16H2,1H3,(H,25,26)
InChIKeyLPUFIPSLVVABJU-UHFFFAOYSA-N
XLogP3.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
CID 66564244
2-[ethyl-[3-[(4-phenylcyclohexyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042345
2-[ethyl-[1-[[3-(4-fluorophenyl)cyclopentyl]carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122012539
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119540404
2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
CID 122126135
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109
2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid
CID 122062259
2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid
CID 122043222

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid (CID 129007942) is 2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is LPUFIPSLVVABJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-2-23(16-21(25)26)20-12-14-24(15-13-20)22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,2,8-16H2,1H3,(H,25,26).
What are the key properties of 2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 372.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 129007942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).