N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride

C20H29ClN4O3 — CID 120891084

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccccc2-c2nc(C(C)C)no2)CCNCC1.Cl
InChIInChI=1S/C20H28N4O3.ClH/c1-14(2)17-23-19(27-24-17)16-7-5-4-6-15(16)18(25)22-12-20(13-26-3)8-10-21-11-9-20;/h4-7,14,21H,8-13H2,1-3H3,(H,22,25);1H
InChIKeyPQFKLNLSQOKCGA-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.03
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride (PubChem CID 120891084) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
PubChem CID120891084
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccccc2-c2nc(C(C)C)no2)CCNCC1.Cl
InChIInChI=1S/C20H28N4O3.ClH/c1-14(2)17-23-19(27-24-17)16-7-5-4-6-15(16)18(25)22-12-20(13-26-3)8-10-21-11-9-20;/h4-7,14,21H,8-13H2,1-3H3,(H,22,25);1H
InChIKeyPQFKLNLSQOKCGA-UHFFFAOYSA-N
XLogP3.03
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888588
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 120891792
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120887412
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 120891409
3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride
CID 120891725

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride (CID 120891084) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride is COCC1(CNC(=O)c2ccccc2-c2nc(C(C)C)no2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
The InChIKey is PQFKLNLSQOKCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3.ClH/c1-14(2)17-23-19(27-24-17)16-7-5-4-6-15(16)18(25)22-12-20(13-26-3)8-10-21-11-9-20;/h4-7,14,21H,8-13H2,1-3H3,(H,22,25);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride is sourced from PubChem (CID 120891084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).