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

C16H30FN3O — CID 69470903

IUPAC2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1(F)CCCCC1)C1CCCCN1C(N)=O
InChIInChI=1S/C16H30FN3O/c1-19-12-13(11-16(17)8-4-2-5-9-16)14-7-3-6-10-20(14)15(18)21/h13-14,19H,2-12H2,1H3,(H2,18,21)/t13-,14?/m0/s1
InChIKeyVUYSVPAWFAMLKM-LSLKUGRBSA-N
MW299.43 g/mol
LogP2.82
Rot. Bonds5

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

2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 69470903) has the molecular formula C16H30FN3O and a molecular weight of 299.43 g/mol. Its IUPAC name is 2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID69470903
Molecular FormulaC16H30FN3O
Molecular Weight299.43 g/mol
Exact Mass299.24
IUPAC Name2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1(F)CCCCC1)C1CCCCN1C(N)=O
InChIInChI=1S/C16H30FN3O/c1-19-12-13(11-16(17)8-4-2-5-9-16)14-7-3-6-10-20(14)15(18)21/h13-14,19H,2-12H2,1H3,(H2,18,21)/t13-,14?/m0/s1
InChIKeyVUYSVPAWFAMLKM-LSLKUGRBSA-N
XLogP2.82
TPSA58.36 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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 69470903) is 2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC1(F)CCCCC1)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is VUYSVPAWFAMLKM-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H30FN3O/c1-19-12-13(11-16(17)8-4-2-5-9-16)14-7-3-6-10-20(14)15(18)21/h13-14,19H,2-12H2,1H3,(H2,18,21)/t13-,14?/m0/s1.
What are the key properties of 2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 299.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69470903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).