N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C22H35N5O4 — CID 97241657

IUPACN-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1
InChIInChI=1S/C22H35N5O4/c1-6-19-23-18(24-31-19)14-27(15(2)28)17-9-11-25(13-17)20(29)16-8-7-10-26(12-16)21(30)22(3,4)5/h16-17H,6-14H2,1-5H3/t16-,17+/m0/s1
InChIKeyWJNBBVVJZNFXBU-DLBZAZTESA-N
MW433.55 g/mol
LogP1.87
Rot. Bonds5

About N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 97241657) has the molecular formula C22H35N5O4 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID97241657
Molecular FormulaC22H35N5O4
Molecular Weight433.55 g/mol
Exact Mass433.27
IUPAC NameN-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1
InChIInChI=1S/C22H35N5O4/c1-6-19-23-18(24-31-19)14-27(15(2)28)17-9-11-25(13-17)20(29)16-8-7-10-26(12-16)21(30)22(3,4)5/h16-17H,6-14H2,1-5H3/t16-,17+/m0/s1
InChIKeyWJNBBVVJZNFXBU-DLBZAZTESA-N
XLogP1.87
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984373
1-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119413592
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide
CID 97059779
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930
1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 56760272
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride
CID 120904420
2,2-dimethyl-1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119547113
1-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119639555
azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56825800
1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 72929438

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 97241657) is N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1.
What is the InChIKey of N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is WJNBBVVJZNFXBU-DLBZAZTESA-N. The full InChI is InChI=1S/C22H35N5O4/c1-6-19-23-18(24-31-19)14-27(15(2)28)17-9-11-25(13-17)20(29)16-8-7-10-26(12-16)21(30)22(3,4)5/h16-17H,6-14H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 97241657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).