2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid

C14H23NO3 — CID 119178068

IUPAC2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
SMILESCCC1(C(=O)N2CCC(CC(=O)O)CC2)CCC1
InChIInChI=1S/C14H23NO3/c1-2-14(6-3-7-14)13(18)15-8-4-11(5-9-15)10-12(16)17/h11H,2-10H2,1H3,(H,16,17)
InChIKeyDGJHALGMIWQHJI-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid

2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid (PubChem CID 119178068) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
PubChem CID119178068
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
SMILESCCC1(C(=O)N2CCC(CC(=O)O)CC2)CCC1
InChIInChI=1S/C14H23NO3/c1-2-14(6-3-7-14)13(18)15-8-4-11(5-9-15)10-12(16)17/h11H,2-10H2,1H3,(H,16,17)
InChIKeyDGJHALGMIWQHJI-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79612982
3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 75483564
2-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79608498
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
(1-ethylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119564125
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclobutyl]methanone
CID 119645218
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 80550886
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999346

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid (CID 119178068) is 2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid is CCC1(C(=O)N2CCC(CC(=O)O)CC2)CCC1.
What is the InChIKey of 2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid?
The InChIKey is DGJHALGMIWQHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-14(6-3-7-14)13(18)15-8-4-11(5-9-15)10-12(16)17/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid?
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid has a molecular weight of 253.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).