N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide

C19H35FN4O — CID 165157059

IUPACN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide
SMILESCC1CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)NC(C)N1
InChIInChI=1S/C19H35FN4O/c1-12-8-17(23-13(2)22-12)19(25)24-18-7-6-15(11-21-18)9-14-4-3-5-16(20)10-14/h12-18,21-23H,3-11H2,1-2H3,(H,24,25)
InChIKeyBBMAQRMBNCORKH-UHFFFAOYSA-N
MW354.51 g/mol
LogP2.03
Rot. Bonds4

About N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide

N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide (PubChem CID 165157059) has the molecular formula C19H35FN4O and a molecular weight of 354.51 g/mol. Its IUPAC name is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide
PubChem CID165157059
Molecular FormulaC19H35FN4O
Molecular Weight354.51 g/mol
Exact Mass354.28
IUPAC NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide
SMILESCC1CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)NC(C)N1
InChIInChI=1S/C19H35FN4O/c1-12-8-17(23-13(2)22-12)19(25)24-18-7-6-15(11-21-18)9-14-4-3-5-16(20)10-14/h12-18,21-23H,3-11H2,1-2H3,(H,24,25)
InChIKeyBBMAQRMBNCORKH-UHFFFAOYSA-N
XLogP2.03
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.51
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide (CID 165157059) is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide is CC1CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)NC(C)N1.
What is the InChIKey of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide?
The InChIKey is BBMAQRMBNCORKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FN4O/c1-12-8-17(23-13(2)22-12)19(25)24-18-7-6-15(11-21-18)9-14-4-3-5-16(20)10-14/h12-18,21-23H,3-11H2,1-2H3,(H,24,25).
What are the key properties of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide?
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide has a molecular weight of 354.51 g/mol, XLogP of 2.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-2,6-dimethyl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 165157059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).