1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide

C17H32FN5O — CID 177099654

IUPAC1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide
SMILESCC1CC(N2CCC(C(=O)NC3CCCCC3F)CC2)NC(N)N1
InChIInChI=1S/C17H32FN5O/c1-11-10-15(22-17(19)20-11)23-8-6-12(7-9-23)16(24)21-14-5-3-2-4-13(14)18/h11-15,17,20,22H,2-10,19H2,1H3,(H,21,24)
InChIKeyBSNIUCXYKZNOSM-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.64
Rot. Bonds3

About 1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide

1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide (PubChem CID 177099654) has the molecular formula C17H32FN5O and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide
PubChem CID177099654
Molecular FormulaC17H32FN5O
Molecular Weight341.48 g/mol
Exact Mass341.26
IUPAC Name1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide
SMILESCC1CC(N2CCC(C(=O)NC3CCCCC3F)CC2)NC(N)N1
InChIInChI=1S/C17H32FN5O/c1-11-10-15(22-17(19)20-11)23-8-6-12(7-9-23)16(24)21-14-5-3-2-4-13(14)18/h11-15,17,20,22H,2-10,19H2,1H3,(H,21,24)
InChIKeyBSNIUCXYKZNOSM-UHFFFAOYSA-N
XLogP0.64
TPSA82.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide (CID 177099654) is 1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide is CC1CC(N2CCC(C(=O)NC3CCCCC3F)CC2)NC(N)N1.
What is the InChIKey of 1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide?
The InChIKey is BSNIUCXYKZNOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN5O/c1-11-10-15(22-17(19)20-11)23-8-6-12(7-9-23)16(24)21-14-5-3-2-4-13(14)18/h11-15,17,20,22H,2-10,19H2,1H3,(H,21,24).
What are the key properties of 1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide?
1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 177099654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).