2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid

C14H24F2N2O2 — CID 83993142

IUPAC2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(NCC(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C14H24F2N2O2/c15-13(16)7-17-11-5-10(6-14(19)20)8-18(9-11)12-3-1-2-4-12/h10-13,17H,1-9H2,(H,19,20)
InChIKeyLKYAMSFBPPLFKB-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.95
Rot. Bonds6

About 2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid

2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid (PubChem CID 83993142) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid
PubChem CID83993142
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(NCC(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C14H24F2N2O2/c15-13(16)7-17-11-5-10(6-14(19)20)8-18(9-11)12-3-1-2-4-12/h10-13,17H,1-9H2,(H,19,20)
InChIKeyLKYAMSFBPPLFKB-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
CID 83993158
2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
CID 83990535
2-[1-cyclopentyl-5-(cyclopropylamino)piperidin-3-yl]acetic acid
CID 83991764
2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid
CID 83999366
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83993140
2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992463
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
1-cyclopropyl-5-(cyclopropylmethyl)-N-(2,2-difluoroethyl)piperidin-3-amine
CID 83993151
1-cyclohexyl-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993171
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
1-cyclohexyl-5-ethyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994555
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid (CID 83993142) is 2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid is O=C(O)CC1CC(NCC(F)F)CN(C2CCCC2)C1.
What is the InChIKey of 2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid?
The InChIKey is LKYAMSFBPPLFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c15-13(16)7-17-11-5-10(6-14(19)20)8-18(9-11)12-3-1-2-4-12/h10-13,17H,1-9H2,(H,19,20).
What are the key properties of 2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid?
2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid has a molecular weight of 290.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83993142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).