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

C18H32F2N4O — CID 153179429

IUPACN-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
SMILESCC1NCCC(C(=O)NC2CCC(CC3CC(F)CC(F)C3)CN2)N1
InChIInChI=1S/C18H32F2N4O/c1-11-21-5-4-16(23-11)18(25)24-17-3-2-12(10-22-17)6-13-7-14(19)9-15(20)8-13/h11-17,21-23H,2-10H2,1H3,(H,24,25)
InChIKeyYFCOSYFHXNKLEE-UHFFFAOYSA-N
MW358.48 g/mol
LogP1.59
Rot. Bonds4

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

N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide (PubChem CID 153179429) has the molecular formula C18H32F2N4O and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
PubChem CID153179429
Molecular FormulaC18H32F2N4O
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC NameN-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
SMILESCC1NCCC(C(=O)NC2CCC(CC3CC(F)CC(F)C3)CN2)N1
InChIInChI=1S/C18H32F2N4O/c1-11-21-5-4-16(23-11)18(25)24-17-3-2-12(10-22-17)6-13-7-14(19)9-15(20)8-13/h11-17,21-23H,2-10H2,1H3,(H,24,25)
InChIKeyYFCOSYFHXNKLEE-UHFFFAOYSA-N
XLogP1.59
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide (CID 153179429) is N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide is CC1NCCC(C(=O)NC2CCC(CC3CC(F)CC(F)C3)CN2)N1.
What is the InChIKey of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
The InChIKey is YFCOSYFHXNKLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2N4O/c1-11-21-5-4-16(23-11)18(25)24-17-3-2-12(10-22-17)6-13-7-14(19)9-15(20)8-13/h11-17,21-23H,2-10H2,1H3,(H,24,25).
What are the key properties of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide?
N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 1.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 153179429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).