N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide

C18H32F2N4O — CID 165157046

IUPACN-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide
SMILESCC1CCC(C(=O)NC2CCC(CC3CCC(F)C(F)C3)CN2)NN1
InChIInChI=1S/C18H32F2N4O/c1-11-2-6-16(24-23-11)18(25)22-17-7-4-13(10-21-17)8-12-3-5-14(19)15(20)9-12/h11-17,21,23-24H,2-10H2,1H3,(H,22,25)
InChIKeyBHPQBCMEXNZDCM-UHFFFAOYSA-N
MW358.48 g/mol
LogP1.94
Rot. Bonds4

About N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide

N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide (PubChem CID 165157046) has the molecular formula C18H32F2N4O and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide
PubChem CID165157046
Molecular FormulaC18H32F2N4O
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC NameN-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide
SMILESCC1CCC(C(=O)NC2CCC(CC3CCC(F)C(F)C3)CN2)NN1
InChIInChI=1S/C18H32F2N4O/c1-11-2-6-16(24-23-11)18(25)22-17-7-4-13(10-21-17)8-12-3-5-14(19)15(20)9-12/h11-17,21,23-24H,2-10H2,1H3,(H,22,25)
InChIKeyBHPQBCMEXNZDCM-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide?
The IUPAC name of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide (CID 165157046) is N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide.
What is the SMILES notation for N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide?
The canonical SMILES for N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide is CC1CCC(C(=O)NC2CCC(CC3CCC(F)C(F)C3)CN2)NN1.
What is the InChIKey of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide?
The InChIKey is BHPQBCMEXNZDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2N4O/c1-11-2-6-16(24-23-11)18(25)22-17-7-4-13(10-21-17)8-12-3-5-14(19)15(20)9-12/h11-17,21,23-24H,2-10H2,1H3,(H,22,25).
What are the key properties of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide?
N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide is sourced from PubChem (CID 165157046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).