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

C18H33FN4O2 — CID 165157021

IUPACN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide
SMILESCOC1NCCC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)N1
InChIInChI=1S/C18H33FN4O2/c1-25-18-20-8-7-15(22-18)17(24)23-16-6-5-13(11-21-16)9-12-3-2-4-14(19)10-12/h12-16,18,20-22H,2-11H2,1H3,(H,23,24)
InChIKeySDVVOKMHXICKIG-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.23
Rot. Bonds5

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

N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide (PubChem CID 165157021) has the molecular formula C18H33FN4O2 and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide
PubChem CID165157021
Molecular FormulaC18H33FN4O2
Molecular Weight356.49 g/mol
Exact Mass356.26
IUPAC NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide
SMILESCOC1NCCC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)N1
InChIInChI=1S/C18H33FN4O2/c1-25-18-20-8-7-15(22-18)17(24)23-16-6-5-13(11-21-16)9-12-3-2-4-14(19)10-12/h12-16,18,20-22H,2-11H2,1H3,(H,23,24)
InChIKeySDVVOKMHXICKIG-UHFFFAOYSA-N
XLogP1.23
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide (CID 165157021) is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide is COC1NCCC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)N1.
What is the InChIKey of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide?
The InChIKey is SDVVOKMHXICKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN4O2/c1-25-18-20-8-7-15(22-18)17(24)23-16-6-5-13(11-21-16)9-12-3-2-4-14(19)10-12/h12-16,18,20-22H,2-11H2,1H3,(H,23,24).
What are the key properties of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide?
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methoxy-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 165157021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).