2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride

C16H22ClN5O2 — CID 120841607

IUPAC2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1nc(-c2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C16H21N5O2.ClH/c17-10-14(22)18-11-15-19-16(20-23-15)12-4-6-13(7-5-12)21-8-2-1-3-9-21;/h4-7H,1-3,8-11,17H2,(H,18,22);1H
InChIKeySCHQJUIBPSUGMH-UHFFFAOYSA-N
MW351.84 g/mol
LogP1.72
Rot. Bonds5

About 2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride

2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride (PubChem CID 120841607) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
PubChem CID120841607
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1nc(-c2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C16H21N5O2.ClH/c17-10-14(22)18-11-15-19-16(20-23-15)12-4-6-13(7-5-12)21-8-2-1-3-9-21;/h4-7H,1-3,8-11,17H2,(H,18,22);1H
InChIKeySCHQJUIBPSUGMH-UHFFFAOYSA-N
XLogP1.72
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120833829
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50832078
2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120840366
N-[(2-methoxyphenyl)methyl]-3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50832232
3-[4-(azepan-1-yl)phenyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827764
(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153820
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
3-[4-(azepan-1-yl)phenyl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827856
N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828031
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
N-propyl-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827969

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride (CID 120841607) is 2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride is Cl.NCC(=O)NCc1nc(-c2ccc(N3CCCCC3)cc2)no1.
What is the InChIKey of 2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The InChIKey is SCHQJUIBPSUGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.ClH/c17-10-14(22)18-11-15-19-16(20-23-15)12-4-6-13(7-5-12)21-8-2-1-3-9-21;/h4-7H,1-3,8-11,17H2,(H,18,22);1H.
What are the key properties of 2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride has a molecular weight of 351.84 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120841607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).