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

C19H28N4O2 — CID 110929917

IUPAC1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol
SMILESCc1noc(C2CCN(CC(O)CN(C)Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-15-20-19(25-21-15)17-8-10-23(11-9-17)14-18(24)13-22(2)12-16-6-4-3-5-7-16/h3-7,17-18,24H,8-14H2,1-2H3
InChIKeyMGNFEKHSLRSASC-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.05
Rot. Bonds7

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

1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol (PubChem CID 110929917) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol
PubChem CID110929917
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol
SMILESCc1noc(C2CCN(CC(O)CN(C)Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-15-20-19(25-21-15)17-8-10-23(11-9-17)14-18(24)13-22(2)12-16-6-4-3-5-7-16/h3-7,17-18,24H,8-14H2,1-2H3
InChIKeyMGNFEKHSLRSASC-UHFFFAOYSA-N
XLogP2.05
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
CID 110903115
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 111487555
N-benzyl-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 75462039
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
(2S)-2-amino-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119301181
1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489897
1-[benzyl(methyl)amino]-3-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56802826
(1S)-2-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95292947
1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111462643
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95578540
N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 129351666
5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462107

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol (CID 110929917) is 1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol is Cc1noc(C2CCN(CC(O)CN(C)Cc3ccccc3)CC2)n1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is MGNFEKHSLRSASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-20-19(25-21-15)17-8-10-23(11-9-17)14-18(24)13-22(2)12-16-6-4-3-5-7-16/h3-7,17-18,24H,8-14H2,1-2H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol?
1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 344.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 110929917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).