1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide

C18H29F2N5O2 — CID 138007389

IUPAC1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide
SMILESCN(CCN(C)C(=O)C1CCN(CC(F)F)CC1)C(=O)CCc1cnc[nH]1
InChIInChI=1S/C18H29F2N5O2/c1-23(17(26)4-3-15-11-21-13-22-15)9-10-24(2)18(27)14-5-7-25(8-6-14)12-16(19)20/h11,13-14,16H,3-10,12H2,1-2H3,(H,21,22)
InChIKeyCPZXIXRVEUBFKJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.24
Rot. Bonds9

About 1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide

1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 138007389) has the molecular formula C18H29F2N5O2 and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID138007389
Molecular FormulaC18H29F2N5O2
Molecular Weight385.46 g/mol
Exact Mass385.23
IUPAC Name1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide
SMILESCN(CCN(C)C(=O)C1CCN(CC(F)F)CC1)C(=O)CCc1cnc[nH]1
InChIInChI=1S/C18H29F2N5O2/c1-23(17(26)4-3-15-11-21-13-22-15)9-10-24(2)18(27)14-5-7-25(8-6-14)12-16(19)20/h11,13-14,16H,3-10,12H2,1-2H3,(H,21,22)
InChIKeyCPZXIXRVEUBFKJ-UHFFFAOYSA-N
XLogP1.24
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide (CID 138007389) is 1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide is CN(CCN(C)C(=O)C1CCN(CC(F)F)CC1)C(=O)CCc1cnc[nH]1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is CPZXIXRVEUBFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F2N5O2/c1-23(17(26)4-3-15-11-21-13-22-15)9-10-24(2)18(27)14-5-7-25(8-6-14)12-16(19)20/h11,13-14,16H,3-10,12H2,1-2H3,(H,21,22).
What are the key properties of 1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide?
1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[2-[3-(1H-imidazol-5-yl)propanoyl-methylamino]ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 138007389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).