methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate

C14H24F2N2O2 — CID 83993140

IUPACmethyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C14H24F2N2O2/c1-20-14(19)10-6-11(17-7-13(15)16)9-18(8-10)12-4-2-3-5-12/h10-13,17H,2-9H2,1H3
InChIKeyBTWLUZDVFVUIAW-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.65
Rot. Bonds5

About methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate

methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate (PubChem CID 83993140) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
PubChem CID83993140
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Namemethyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C14H24F2N2O2/c1-20-14(19)10-6-11(17-7-13(15)16)9-18(8-10)12-4-2-3-5-12/h10-13,17H,2-9H2,1H3
InChIKeyBTWLUZDVFVUIAW-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate
CID 83990533
methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83992984
2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid
CID 83993142
1-cyclohexyl-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993171
methyl 5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylate
CID 83993008
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
CID 83993158
methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994584
methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate
CID 83993878
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993163
methyl 5-(ethylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylate
CID 83990547
methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 112544651

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate (CID 83993140) is methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate is COC(=O)C1CC(NCC(F)F)CN(C2CCCC2)C1.
What is the InChIKey of methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate?
The InChIKey is BTWLUZDVFVUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-20-14(19)10-6-11(17-7-13(15)16)9-18(8-10)12-4-2-3-5-12/h10-13,17H,2-9H2,1H3.
What are the key properties of methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate?
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate has a molecular weight of 290.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83993140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).