(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide

C21H28N4O2 — CID 97270078

IUPAC(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
SMILESCC(C)c1noc([C@@H]2CCCN(C(=O)Nc3cccc4c3CCCC4)C2)n1
InChIInChI=1S/C21H28N4O2/c1-14(2)19-23-20(27-24-19)16-9-6-12-25(13-16)21(26)22-18-11-5-8-15-7-3-4-10-17(15)18/h5,8,11,14,16H,3-4,6-7,9-10,12-13H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyRSMGTDHYFRCMFF-MRXNPFEDSA-N
MW368.48 g/mol
LogP4.48
Rot. Bonds3

About (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide

(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide (PubChem CID 97270078) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
PubChem CID97270078
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
SMILESCC(C)c1noc([C@@H]2CCCN(C(=O)Nc3cccc4c3CCCC4)C2)n1
InChIInChI=1S/C21H28N4O2/c1-14(2)19-23-20(27-24-19)16-9-6-12-25(13-16)21(26)22-18-11-5-8-15-7-3-4-10-17(15)18/h5,8,11,14,16H,3-4,6-7,9-10,12-13H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyRSMGTDHYFRCMFF-MRXNPFEDSA-N
XLogP4.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-(8-methylquinolin-5-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118766209
N-(2-fluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098819
(3R)-N-(2-phenylpyrazol-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 97436373
N-(2-methylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 655381
[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 97133718
(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126423573
N-(2-fluorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 6487206
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 56686165
[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-pyridin-2-ylphenyl)methanone
CID 125173165
(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95132649
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50778293
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97147629

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide (CID 97270078) is (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide is CC(C)c1noc([C@@H]2CCCN(C(=O)Nc3cccc4c3CCCC4)C2)n1.
What is the InChIKey of (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?
The InChIKey is RSMGTDHYFRCMFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(2)19-23-20(27-24-19)16-9-6-12-25(13-16)21(26)22-18-11-5-8-15-7-3-4-10-17(15)18/h5,8,11,14,16H,3-4,6-7,9-10,12-13H2,1-2H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?
(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97270078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).