N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

C22H25N5O2 — CID 99033304

IUPACN-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](Cc1nc(-c2ccc(N3CCCCC3)nc2)no1)c1ccccc1
InChIInChI=1S/C22H25N5O2/c1-16(28)24-19(17-8-4-2-5-9-17)14-21-25-22(26-29-21)18-10-11-20(23-15-18)27-12-6-3-7-13-27/h2,4-5,8-11,15,19H,3,6-7,12-14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyNFIOONOPBOGVOM-IBGZPJMESA-N
MW391.48 g/mol
LogP3.54
Rot. Bonds6

About N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 99033304) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID99033304
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](Cc1nc(-c2ccc(N3CCCCC3)nc2)no1)c1ccccc1
InChIInChI=1S/C22H25N5O2/c1-16(28)24-19(17-8-4-2-5-9-17)14-21-25-22(26-29-21)18-10-11-20(23-15-18)27-12-6-3-7-13-27/h2,4-5,8-11,15,19H,3,6-7,12-14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyNFIOONOPBOGVOM-IBGZPJMESA-N
XLogP3.54
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide with MolForge

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Related Compounds

3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
1-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53162619
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 71780497
1,3-benzothiazol-2-yl-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491337
(3R)-6-cyclohexyl-3-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59059269
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90491287
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90491305
furan-2-yl-[4-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 53162637
N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 95103431
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47043297
6-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90491302
N-[2-oxo-2-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 90491551

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 99033304) is N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is CC(=O)N[C@@H](Cc1nc(-c2ccc(N3CCCCC3)nc2)no1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is NFIOONOPBOGVOM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(28)24-19(17-8-4-2-5-9-17)14-21-25-22(26-29-21)18-10-11-20(23-15-18)27-12-6-3-7-13-27/h2,4-5,8-11,15,19H,3,6-7,12-14H2,1H3,(H,24,28)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-2-[3-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 99033304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).