(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

C21H36N4O2 — CID 162461365

IUPAC(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
SMILESCC1CC(NC(=O)[C@H]2CCC3CC(C4NOC(C5CC5)N4)CCC32)CCN1
InChIInChI=1S/C21H36N4O2/c1-12-10-16(8-9-22-12)23-20(26)18-7-4-14-11-15(5-6-17(14)18)19-24-21(27-25-19)13-2-3-13/h12-19,21-22,24-25H,2-11H2,1H3,(H,23,26)/t12?,14?,15?,16?,17?,18-,19?,21?/m0/s1
InChIKeyAXLVWKDGZKTOED-LYHWEXOVSA-N
MW376.55 g/mol
LogP1.87
Rot. Bonds4

About (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

(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 (PubChem CID 162461365) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162461365
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name(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
SMILESCC1CC(NC(=O)[C@H]2CCC3CC(C4NOC(C5CC5)N4)CCC32)CCN1
InChIInChI=1S/C21H36N4O2/c1-12-10-16(8-9-22-12)23-20(26)18-7-4-14-11-15(5-6-17(14)18)19-24-21(27-25-19)13-2-3-13/h12-19,21-22,24-25H,2-11H2,1H3,(H,23,26)/t12?,14?,15?,16?,17?,18-,19?,21?/m0/s1
InChIKeyAXLVWKDGZKTOED-LYHWEXOVSA-N
XLogP1.87
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

2-methyl-N-(2-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 106995532
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
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
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
2-(difluoromethyl)-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-4-carboxamide
CID 153424156
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
4-methyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995297
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
3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid
CID 177099597
4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995432
2,2-dimethyl-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120599635
N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 153424145

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1CC(NC(=O)[C@H]2CCC3CC(C4NOC(C5CC5)N4)CCC32)CCN1.
What is the InChIKey of (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?
The InChIKey is AXLVWKDGZKTOED-LYHWEXOVSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-12-10-16(8-9-22-12)23-20(26)18-7-4-14-11-15(5-6-17(14)18)19-24-21(27-25-19)13-2-3-13/h12-19,21-22,24-25H,2-11H2,1H3,(H,23,26)/t12?,14?,15?,16?,17?,18-,19?,21?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 376.55 g/mol, XLogP of 1.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 162461365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).