N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide

C17H23N5O2 — CID 169413534

IUPACN-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCC[C@@H]1CN(c2cc(-c3nc(C)no3)ccn2)CC[C@@H]1NC(C)=O
InChIInChI=1S/C17H23N5O2/c1-4-13-10-22(8-6-15(13)20-12(3)23)16-9-14(5-7-18-16)17-19-11(2)21-24-17/h5,7,9,13,15H,4,6,8,10H2,1-3H3,(H,20,23)/t13-,15+/m1/s1
InChIKeyVVQXEMBEGSFKTE-HIFRSBDPSA-N
MW329.40 g/mol
LogP2.18
Rot. Bonds4

About N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide

N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 169413534) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID169413534
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCC[C@@H]1CN(c2cc(-c3nc(C)no3)ccn2)CC[C@@H]1NC(C)=O
InChIInChI=1S/C17H23N5O2/c1-4-13-10-22(8-6-15(13)20-12(3)23)16-9-14(5-7-18-16)17-19-11(2)21-24-17/h5,7,9,13,15H,4,6,8,10H2,1-3H3,(H,20,23)/t13-,15+/m1/s1
InChIKeyVVQXEMBEGSFKTE-HIFRSBDPSA-N
XLogP2.18
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770093
(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 166619181
2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol
CID 46985548
N-cyclopropyl-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178942
N-(3,5-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 133362349
(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol
CID 97216279
1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770168
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770201
(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164688984

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide (CID 169413534) is N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide is CC[C@@H]1CN(c2cc(-c3nc(C)no3)ccn2)CC[C@@H]1NC(C)=O.
What is the InChIKey of N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is VVQXEMBEGSFKTE-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-13-10-22(8-6-15(13)20-12(3)23)16-9-14(5-7-18-16)17-19-11(2)21-24-17/h5,7,9,13,15H,4,6,8,10H2,1-3H3,(H,20,23)/t13-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide?
N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 169413534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).