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

C16H30FN3O — CID 67198553

IUPACN-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](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)/t13?,14?,15-/m0/s1
InChIKeyVQJIUEUDSPNRQL-NRXISQOPSA-N
MW299.43 g/mol
LogP2.69
Rot. Bonds5

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

N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 67198553) has the molecular formula C16H30FN3O and a molecular weight of 299.43 g/mol. Its IUPAC name is N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID67198553
Molecular FormulaC16H30FN3O
Molecular Weight299.43 g/mol
Exact Mass299.24
IUPAC NameN-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](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)/t13?,14?,15-/m0/s1
InChIKeyVQJIUEUDSPNRQL-NRXISQOPSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 67198553) is N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC1CCC(F)CC1)NC(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is VQJIUEUDSPNRQL-NRXISQOPSA-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)/t13?,14?,15-/m0/s1.
What are the key properties of N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
N-[(2S)-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-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 67198553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).