1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one

C21H33FN6O — CID 67972046

IUPAC1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one
SMILESNc1ncnc(N2CCC[C@@H](N3CCCC(NCC4CCCCC4)C3=O)C2)c1F
InChIInChI=1S/C21H33FN6O/c22-18-19(23)25-14-26-20(18)27-10-4-8-16(13-27)28-11-5-9-17(21(28)29)24-12-15-6-2-1-3-7-15/h14-17,24H,1-13H2,(H2,23,25,26)/t16-,17?/m1/s1
InChIKeyRSERRLCIDMKOEC-TZHYSIJRSA-N
MW404.53 g/mol
LogP2.33
Rot. Bonds5

About 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one

1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one (PubChem CID 67972046) has the molecular formula C21H33FN6O and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one
PubChem CID67972046
Molecular FormulaC21H33FN6O
Molecular Weight404.53 g/mol
Exact Mass404.27
IUPAC Name1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one
SMILESNc1ncnc(N2CCC[C@@H](N3CCCC(NCC4CCCCC4)C3=O)C2)c1F
InChIInChI=1S/C21H33FN6O/c22-18-19(23)25-14-26-20(18)27-10-4-8-16(13-27)28-11-5-9-17(21(28)29)24-12-15-6-2-1-3-7-15/h14-17,24H,1-13H2,(H2,23,25,26)/t16-,17?/m1/s1
InChIKeyRSERRLCIDMKOEC-TZHYSIJRSA-N
XLogP2.33
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-N-(2-piperidin-1-ylethyl)propanamide
CID 53188797
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-[(4,4-difluorocyclohexyl)amino]piperidin-2-one
CID 67034921
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one
CID 67035136
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(tert-butylamino)piperidin-2-one
CID 67972594
3-{1-[6-(Propylamino)pyrimidin-4-YL]piperidin-3-YL}-1-(4-propylpiperazin-1-YL)propan-1-one
CID 53174256
1-[4-(Propan-2-YL)piperazin-1-YL]-3-{1-[6-(propylamino)pyrimidin-4-YL]piperidin-3-YL}propan-1-one
CID 53174295
1-(4-Butylpiperazin-1-YL)-3-{1-[6-(propylamino)pyrimidin-4-YL]piperidin-3-YL}propan-1-one
CID 53174303
1-(4-Acetylpiperazin-1-YL)-3-{1-[6-(propylamino)pyrimidin-4-YL]piperidin-3-YL}propan-1-one
CID 53174304
1-[4-(2-Methylpropyl)piperazin-1-YL]-3-{1-[6-(propylamino)pyrimidin-4-YL]piperidin-3-YL}propan-1-one
CID 53174305
N-cyclohexyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}propanamide
CID 53174313
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}propanamide
CID 53174332
3-[1-[6-(Ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 53174344

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one?
The IUPAC name of 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one (CID 67972046) is 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one.
What is the SMILES notation for 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one?
The canonical SMILES for 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one is Nc1ncnc(N2CCC[C@@H](N3CCCC(NCC4CCCCC4)C3=O)C2)c1F.
What is the InChIKey of 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one?
The InChIKey is RSERRLCIDMKOEC-TZHYSIJRSA-N. The full InChI is InChI=1S/C21H33FN6O/c22-18-19(23)25-14-26-20(18)27-10-4-8-16(13-27)28-11-5-9-17(21(28)29)24-12-15-6-2-1-3-7-15/h14-17,24H,1-13H2,(H2,23,25,26)/t16-,17?/m1/s1.
What are the key properties of 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one?
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one has a molecular weight of 404.53 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(cyclohexylmethylamino)piperidin-2-one is sourced from PubChem (CID 67972046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).