1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone

C18H25N5O2 — CID 45234506

IUPAC1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CNc2ccc(-c3nc(C(C)C)no3)cn2)C1
InChIInChI=1S/C18H25N5O2/c1-12(2)17-21-18(25-22-17)15-6-7-16(20-10-15)19-9-14-5-4-8-23(11-14)13(3)24/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,19,20)
InChIKeyIQENWGZFIQRZJX-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.93
Rot. Bonds5

About 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone

1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone (PubChem CID 45234506) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
PubChem CID45234506
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CNc2ccc(-c3nc(C(C)C)no3)cn2)C1
InChIInChI=1S/C18H25N5O2/c1-12(2)17-21-18(25-22-17)15-6-7-16(20-10-15)19-9-14-5-4-8-23(11-14)13(3)24/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,19,20)
InChIKeyIQENWGZFIQRZJX-UHFFFAOYSA-N
XLogP2.93
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3R)-3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
CID 28697156
[(3S)-3-methylpiperidin-1-yl]-[5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 95104525
1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one
CID 45228116
[(2S)-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 45249597
5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 124823156
[3-(methylamino)piperidin-1-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanone;hydrochloride
CID 119490513
N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide
CID 52865743
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71564469
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
CID 29029235
5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 53353088
(2S)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059747
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone (CID 45234506) is 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(CNc2ccc(-c3nc(C(C)C)no3)cn2)C1.
What is the InChIKey of 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is IQENWGZFIQRZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)17-21-18(25-22-17)15-6-7-16(20-10-15)19-9-14-5-4-8-23(11-14)13(3)24/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone?
1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 45234506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).