2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C16H29F2N3O — CID 69469607

IUPAC2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1CCC(F)(F)CC1)C1CCCCN1C(N)=O
InChIInChI=1S/C16H29F2N3O/c1-20-11-13(10-12-5-7-16(17,18)8-6-12)14-4-2-3-9-21(14)15(19)22/h12-14,20H,2-11H2,1H3,(H2,19,22)/t13-,14?/m0/s1
InChIKeyWMFROTZPRMOXHC-LSLKUGRBSA-N
MW317.42 g/mol
LogP2.97
Rot. Bonds5

About 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 69469607) has the molecular formula C16H29F2N3O and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID69469607
Molecular FormulaC16H29F2N3O
Molecular Weight317.42 g/mol
Exact Mass317.23
IUPAC Name2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1CCC(F)(F)CC1)C1CCCCN1C(N)=O
InChIInChI=1S/C16H29F2N3O/c1-20-11-13(10-12-5-7-16(17,18)8-6-12)14-4-2-3-9-21(14)15(19)22/h12-14,20H,2-11H2,1H3,(H2,19,22)/t13-,14?/m0/s1
InChIKeyWMFROTZPRMOXHC-LSLKUGRBSA-N
XLogP2.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 69469607) is 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC1CCC(F)(F)CC1)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is WMFROTZPRMOXHC-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H29F2N3O/c1-20-11-13(10-12-5-7-16(17,18)8-6-12)14-4-2-3-9-21(14)15(19)22/h12-14,20H,2-11H2,1H3,(H2,19,22)/t13-,14?/m0/s1.
What are the key properties of 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69469607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).