N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C16H30FN3O — CID 69470904

IUPACN-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1(F)CCCCC1)NC(=O)N1CCCCC1
InChIInChI=1S/C16H30FN3O/c1-18-13-14(12-16(17)8-4-2-5-9-16)19-15(21)20-10-6-3-7-11-20/h14,18H,2-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyGKEUDWZRIUAAQD-AWEZNQCLSA-N
MW299.43 g/mol
LogP2.83
Rot. Bonds5

About N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 69470904) has the molecular formula C16H30FN3O and a molecular weight of 299.43 g/mol. Its IUPAC name is N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID69470904
Molecular FormulaC16H30FN3O
Molecular Weight299.43 g/mol
Exact Mass299.24
IUPAC NameN-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1(F)CCCCC1)NC(=O)N1CCCCC1
InChIInChI=1S/C16H30FN3O/c1-18-13-14(12-16(17)8-4-2-5-9-16)19-15(21)20-10-6-3-7-11-20/h14,18H,2-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyGKEUDWZRIUAAQD-AWEZNQCLSA-N
XLogP2.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-(1-fluorocyclohexyl)-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 N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 69470904) is N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC1(F)CCCCC1)NC(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is GKEUDWZRIUAAQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30FN3O/c1-18-13-14(12-16(17)8-4-2-5-9-16)19-15(21)20-10-6-3-7-11-20/h14,18H,2-13H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 299.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69470904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).