1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide

C17H22N6O3 — CID 70788768

IUPAC1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)CN1CCC(C(N)=O)CC1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C17H22N6O3/c1-11(17-21-16(22-26-17)13-3-2-6-19-9-13)20-14(24)10-23-7-4-12(5-8-23)15(18)25/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3,(H2,18,25)(H,20,24)
InChIKeyFLJAOUPHAWENPA-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.51
Rot. Bonds6

About 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide

1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide (PubChem CID 70788768) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide
PubChem CID70788768
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)CN1CCC(C(N)=O)CC1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C17H22N6O3/c1-11(17-21-16(22-26-17)13-3-2-6-19-9-13)20-14(24)10-23-7-4-12(5-8-23)15(18)25/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3,(H2,18,25)(H,20,24)
InChIKeyFLJAOUPHAWENPA-UHFFFAOYSA-N
XLogP0.51
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

2-pyridin-2-yl-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99926307
3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 125178000
N-propan-2-yl-2-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
CID 55622853
1-[[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoylamino]cyclopentane-1-carboxamide
CID 126441535
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 136883298
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
1-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide
CID 91767417
N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126449538
1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557005
azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
N-(dicyclopropylmethyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
CID 60512591

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide (CID 70788768) is 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide is CC(NC(=O)CN1CCC(C(N)=O)CC1)c1nc(-c2cccnc2)no1.
What is the InChIKey of 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide?
The InChIKey is FLJAOUPHAWENPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-11(17-21-16(22-26-17)13-3-2-6-19-9-13)20-14(24)10-23-7-4-12(5-8-23)15(18)25/h2-3,6,9,11-12H,4-5,7-8,10H2,1H3,(H2,18,25)(H,20,24).
What are the key properties of 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide?
1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70788768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).