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

C19H32FN5O — CID 165156978

IUPACN-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
SMILESCC1NCCC(C(=O)NC2CCC(CC3CCC(F)C(C#N)C3)CN2)N1
InChIInChI=1S/C19H32FN5O/c1-12-22-7-6-17(24-12)19(26)25-18-5-3-14(11-23-18)8-13-2-4-16(20)15(9-13)10-21/h12-18,22-24H,2-9,11H2,1H3,(H,25,26)
InChIKeyOBNBWFRNAISULN-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.39
Rot. Bonds4

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

N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide (PubChem CID 165156978) has the molecular formula C19H32FN5O and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
PubChem CID165156978
Molecular FormulaC19H32FN5O
Molecular Weight365.50 g/mol
Exact Mass365.26
IUPAC NameN-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
SMILESCC1NCCC(C(=O)NC2CCC(CC3CCC(F)C(C#N)C3)CN2)N1
InChIInChI=1S/C19H32FN5O/c1-12-22-7-6-17(24-12)19(26)25-18-5-3-14(11-23-18)8-13-2-4-16(20)15(9-13)10-21/h12-18,22-24H,2-9,11H2,1H3,(H,25,26)
InChIKeyOBNBWFRNAISULN-UHFFFAOYSA-N
XLogP1.39
TPSA88.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide (CID 165156978) is N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide is CC1NCCC(C(=O)NC2CCC(CC3CCC(F)C(C#N)C3)CN2)N1.
What is the InChIKey of N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
The InChIKey is OBNBWFRNAISULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN5O/c1-12-22-7-6-17(24-12)19(26)25-18-5-3-14(11-23-18)8-13-2-4-16(20)15(9-13)10-21/h12-18,22-24H,2-9,11H2,1H3,(H,25,26).
What are the key properties of N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-cyano-4-fluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 165156978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).