(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

C17H27N7O2 — CID 126439178

IUPAC(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCCCn1cnnc1CNC(=O)N1CCC[C@@H](c2nc(C(C)C)no2)C1
InChIInChI=1S/C17H27N7O2/c1-4-7-24-11-19-21-14(24)9-18-17(25)23-8-5-6-13(10-23)16-20-15(12(2)3)22-26-16/h11-13H,4-10H2,1-3H3,(H,18,25)/t13-/m1/s1
InChIKeyRUORYUHQEIDASD-CYBMUJFWSA-N
MW361.45 g/mol
LogP2.28
Rot. Bonds6

About (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 126439178) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID126439178
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC Name(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCCCn1cnnc1CNC(=O)N1CCC[C@@H](c2nc(C(C)C)no2)C1
InChIInChI=1S/C17H27N7O2/c1-4-7-24-11-19-21-14(24)9-18-17(25)23-8-5-6-13(10-23)16-20-15(12(2)3)22-26-16/h11-13H,4-10H2,1-3H3,(H,18,25)/t13-/m1/s1
InChIKeyRUORYUHQEIDASD-CYBMUJFWSA-N
XLogP2.28
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126423573
N-benzyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098797
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
N-cyclohexyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098776
(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
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 56686165
1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione
CID 97274319
5-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 90649325
(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
(3R)-N-(2-phenylpyrazol-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 97436373
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 56728197
1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51079863

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (CID 126439178) is (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is CCCn1cnnc1CNC(=O)N1CCC[C@@H](c2nc(C(C)C)no2)C1.
What is the InChIKey of (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is RUORYUHQEIDASD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-4-7-24-11-19-21-14(24)9-18-17(25)23-8-5-6-13(10-23)16-20-15(12(2)3)22-26-16/h11-13H,4-10H2,1-3H3,(H,18,25)/t13-/m1/s1.
What are the key properties of (3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126439178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).