N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide

C18H31FN4O2 — CID 165156981

IUPACN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide
SMILESCN1CCC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)NC1=O
InChIInChI=1S/C18H31FN4O2/c1-23-8-7-15(21-18(23)25)17(24)22-16-6-5-13(11-20-16)9-12-3-2-4-14(19)10-12/h12-16,20H,2-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyCVYBQTUDYQSBQG-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.76
Rot. Bonds4

About N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide

N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide (PubChem CID 165156981) has the molecular formula C18H31FN4O2 and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide
PubChem CID165156981
Molecular FormulaC18H31FN4O2
Molecular Weight354.47 g/mol
Exact Mass354.24
IUPAC NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide
SMILESCN1CCC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)NC1=O
InChIInChI=1S/C18H31FN4O2/c1-23-8-7-15(21-18(23)25)17(24)22-16-6-5-13(11-20-16)9-12-3-2-4-14(19)10-12/h12-16,20H,2-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyCVYBQTUDYQSBQG-UHFFFAOYSA-N
XLogP1.76
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide (CID 165156981) is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide is CN1CCC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)NC1=O.
What is the InChIKey of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is CVYBQTUDYQSBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN4O2/c1-23-8-7-15(21-18(23)25)17(24)22-16-6-5-13(11-20-16)9-12-3-2-4-14(19)10-12/h12-16,20H,2-11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide?
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methyl-2-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 165156981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).