4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide

C18H28FN3O2 — CID 97231977

IUPAC4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide
SMILESCC(C)(C)[C@H](COc1ccccc1F)NC1CCN(C(N)=O)CC1
InChIInChI=1S/C18H28FN3O2/c1-18(2,3)16(12-24-15-7-5-4-6-14(15)19)21-13-8-10-22(11-9-13)17(20)23/h4-7,13,16,21H,8-12H2,1-3H3,(H2,20,23)/t16-/m0/s1
InChIKeyKIQWYZHZUBCFAV-INIZCTEOSA-N
MW337.44 g/mol
LogP2.75
Rot. Bonds5

About 4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide

4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide (PubChem CID 97231977) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide
PubChem CID97231977
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide
SMILESCC(C)(C)[C@H](COc1ccccc1F)NC1CCN(C(N)=O)CC1
InChIInChI=1S/C18H28FN3O2/c1-18(2,3)16(12-24-15-7-5-4-6-14(15)19)21-13-8-10-22(11-9-13)17(20)23/h4-7,13,16,21H,8-12H2,1-3H3,(H2,20,23)/t16-/m0/s1
InChIKeyKIQWYZHZUBCFAV-INIZCTEOSA-N
XLogP2.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide (CID 97231977) is 4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide is CC(C)(C)[C@H](COc1ccccc1F)NC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide?
The InChIKey is KIQWYZHZUBCFAV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-18(2,3)16(12-24-15-7-5-4-6-14(15)19)21-13-8-10-22(11-9-13)17(20)23/h4-7,13,16,21H,8-12H2,1-3H3,(H2,20,23)/t16-/m0/s1.
What are the key properties of 4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide?
4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 97231977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).