N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide

C19H32F2N4O3 — CID 153424108

IUPACN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide
SMILESO=C(N[C@@H]1CCC2CC(C3NOC(C(F)F)N3)CCC21)C1CC(CO)CCN1
InChIInChI=1S/C19H32F2N4O3/c20-16(21)19-24-17(25-28-19)12-1-3-13-11(8-12)2-4-14(13)23-18(27)15-7-10(9-26)5-6-22-15/h10-17,19,22,24-26H,1-9H2,(H,23,27)/t10?,11?,12?,13?,14-,15?,17?,19?/m1/s1
InChIKeyGBMFIEJLWPTMGD-KSQQNEBGSA-N
MW402.49 g/mol
LogP0.70
Rot. Bonds5

About N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide

N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide (PubChem CID 153424108) has the molecular formula C19H32F2N4O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide
PubChem CID153424108
Molecular FormulaC19H32F2N4O3
Molecular Weight402.49 g/mol
Exact Mass402.24
IUPAC NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide
SMILESO=C(N[C@@H]1CCC2CC(C3NOC(C(F)F)N3)CCC21)C1CC(CO)CCN1
InChIInChI=1S/C19H32F2N4O3/c20-16(21)19-24-17(25-28-19)12-1-3-13-11(8-12)2-4-14(13)23-18(27)15-7-10(9-26)5-6-22-15/h10-17,19,22,24-26H,1-9H2,(H,23,27)/t10?,11?,12?,13?,14-,15?,17?,19?/m1/s1
InChIKeyGBMFIEJLWPTMGD-KSQQNEBGSA-N
XLogP0.70
TPSA94.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 50.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide with MolForge

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Related Compounds

2-(difluoromethyl)-N-[(1R)-5-(5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 153424206
4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide
CID 153424102
2-(difluoromethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 153424069
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methyl-1,3-oxazolidine-2-carboxamide
CID 147742193
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide
CID 153424151
3-methoxy-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1,2-oxazolidine-5-carboxamide
CID 153424059
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methyl-1,3-diazinane-4-carboxamide
CID 153424105
(1S)-5-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)-N-(2-methylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1-carboxamide
CID 162461365
1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide
CID 153424196
2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide
CID 153195075
4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide
CID 139425116
4-ethyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 114429328

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide?
The IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide (CID 153424108) is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide is O=C(N[C@@H]1CCC2CC(C3NOC(C(F)F)N3)CCC21)C1CC(CO)CCN1.
What is the InChIKey of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide?
The InChIKey is GBMFIEJLWPTMGD-KSQQNEBGSA-N. The full InChI is InChI=1S/C19H32F2N4O3/c20-16(21)19-24-17(25-28-19)12-1-3-13-11(8-12)2-4-14(13)23-18(27)15-7-10(9-26)5-6-22-15/h10-17,19,22,24-26H,1-9H2,(H,23,27)/t10?,11?,12?,13?,14-,15?,17?,19?/m1/s1.
What are the key properties of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide?
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 0.70, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-4-(hydroxymethyl)piperidine-2-carboxamide is sourced from PubChem (CID 153424108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).