(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide

C25H37N5O3 — CID 129424366

IUPAC(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCCN4[C@H](C)CCC[C@@H]4C)C3)n2)cc1
InChIInChI=1S/C25H37N5O3/c1-18-7-4-8-19(2)30(18)16-6-14-26-24(31)21-9-5-15-29(17-21)25-27-23(28-33-25)20-10-12-22(32-3)13-11-20/h10-13,18-19,21H,4-9,14-17H2,1-3H3,(H,26,31)/t18-,19+,21-/m0/s1
InChIKeyKBNHTQVJMYCIKG-ZVDOUQERSA-N
MW455.60 g/mol
LogP3.73
Rot. Bonds8

About (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide

(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (PubChem CID 129424366) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
PubChem CID129424366
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC Name(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCCN4[C@H](C)CCC[C@@H]4C)C3)n2)cc1
InChIInChI=1S/C25H37N5O3/c1-18-7-4-8-19(2)30(18)16-6-14-26-24(31)21-9-5-15-29(17-21)25-27-23(28-33-25)20-10-12-22(32-3)13-11-20/h10-13,18-19,21H,4-9,14-17H2,1-3H3,(H,26,31)/t18-,19+,21-/m0/s1
InChIKeyKBNHTQVJMYCIKG-ZVDOUQERSA-N
XLogP3.73
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 98471979
(3R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705220
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705221
(3R)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 92886568
(3R)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 92886567
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 46275103
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904909
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
N-[2-(1-adamantyloxy)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 46275109
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 20904897
N-[(2-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904891
N-(3,4-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20873273

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (CID 129424366) is (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCCN4[C@H](C)CCC[C@@H]4C)C3)n2)cc1.
What is the InChIKey of (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is KBNHTQVJMYCIKG-ZVDOUQERSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-18-7-4-8-19(2)30(18)16-6-14-26-24(31)21-9-5-15-29(17-21)25-27-23(28-33-25)20-10-12-22(32-3)13-11-20/h10-13,18-19,21H,4-9,14-17H2,1-3H3,(H,26,31)/t18-,19+,21-/m0/s1.
What are the key properties of (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 129424366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).