N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C16H30FN3O — CID 77238978

IUPACN-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CCC(F)CC1)NC(=O)N1CCCCC1
InChIInChI=1S/C16H30FN3O/c1-18-12-15(11-13-5-7-14(17)8-6-13)19-16(21)20-9-3-2-4-10-20/h13-15,18H,2-12H2,1H3,(H,19,21)
InChIKeyVQJIUEUDSPNRQL-UHFFFAOYSA-N
MW299.43 g/mol
LogP2.69
Rot. Bonds5

About N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 77238978) has the molecular formula C16H30FN3O and a molecular weight of 299.43 g/mol. Its IUPAC name is N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID77238978
Molecular FormulaC16H30FN3O
Molecular Weight299.43 g/mol
Exact Mass299.24
IUPAC NameN-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CCC(F)CC1)NC(=O)N1CCCCC1
InChIInChI=1S/C16H30FN3O/c1-18-12-15(11-13-5-7-14(17)8-6-13)19-16(21)20-9-3-2-4-10-20/h13-15,18H,2-12H2,1H3,(H,19,21)
InChIKeyVQJIUEUDSPNRQL-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-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-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 77238978) is N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNCC(CC1CCC(F)CC1)NC(=O)N1CCCCC1.
What is the InChIKey of N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is VQJIUEUDSPNRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FN3O/c1-18-12-15(11-13-5-7-14(17)8-6-13)19-16(21)20-9-3-2-4-10-20/h13-15,18H,2-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 299.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 77238978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).