N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide

C19H28F2N4O — CID 155152936

IUPACN-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide
SMILESCC1CCC(C(=O)NC2CCC(Cc3ccc(F)c(F)c3)CN2)NN1C
InChIInChI=1S/C19H28F2N4O/c1-12-3-7-17(24-25(12)2)19(26)23-18-8-5-14(11-22-18)9-13-4-6-15(20)16(21)10-13/h4,6,10,12,14,17-18,22,24H,3,5,7-9,11H2,1-2H3,(H,23,26)
InChIKeyIOUUNNOGXLXUTR-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.94
Rot. Bonds4

About N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide

N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide (PubChem CID 155152936) has the molecular formula C19H28F2N4O and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide
PubChem CID155152936
Molecular FormulaC19H28F2N4O
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC NameN-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide
SMILESCC1CCC(C(=O)NC2CCC(Cc3ccc(F)c(F)c3)CN2)NN1C
InChIInChI=1S/C19H28F2N4O/c1-12-3-7-17(24-25(12)2)19(26)23-18-8-5-14(11-22-18)9-13-4-6-15(20)16(21)10-13/h4,6,10,12,14,17-18,22,24H,3,5,7-9,11H2,1-2H3,(H,23,26)
InChIKeyIOUUNNOGXLXUTR-UHFFFAOYSA-N
XLogP1.94
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide?
The IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide (CID 155152936) is N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide.
What is the SMILES notation for N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide?
The canonical SMILES for N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide is CC1CCC(C(=O)NC2CCC(Cc3ccc(F)c(F)c3)CN2)NN1C.
What is the InChIKey of N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide?
The InChIKey is IOUUNNOGXLXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N4O/c1-12-3-7-17(24-25(12)2)19(26)23-18-8-5-14(11-22-18)9-13-4-6-15(20)16(21)10-13/h4,6,10,12,14,17-18,22,24H,3,5,7-9,11H2,1-2H3,(H,23,26).
What are the key properties of N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide?
N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide is sourced from PubChem (CID 155152936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).