1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid

C18H24N2O3 — CID 119907979

IUPAC1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C18H24N2O3/c21-16(13-20-11-7-14(8-12-20)17(22)23)19-18(9-4-10-18)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,19,21)(H,22,23)
InChIKeyXOPHBJGYKMRKEW-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.98
Rot. Bonds5

About 1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid

1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid (PubChem CID 119907979) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid
PubChem CID119907979
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C18H24N2O3/c21-16(13-20-11-7-14(8-12-20)17(22)23)19-18(9-4-10-18)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,19,21)(H,22,23)
InChIKeyXOPHBJGYKMRKEW-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid
CID 119914227
N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 86842848
N-(2-phenyl-1,3-dihydroinden-2-yl)-2-pyrrolidin-1-ylacetamide
CID 19846169
2-(cyclopropylmethylamino)-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 119697176
2-cyclohexyl-N-(1-phenylcyclobutyl)acetamide
CID 55461959
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 120772746
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(4-phenyloxan-4-yl)acetamide
CID 125446924
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
1-N-(1-phenylcyclopentyl)piperidine-1,4-dicarboxamide
CID 110676498
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid (CID 119907979) is 1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)NC1(c2ccccc2)CCC1.
What is the InChIKey of 1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid?
The InChIKey is XOPHBJGYKMRKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16(13-20-11-7-14(8-12-20)17(22)23)19-18(9-4-10-18)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,19,21)(H,22,23).
What are the key properties of 1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid?
1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).