(3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

C18H26N4O — CID 166601420

IUPAC(3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
SMILESCc1nc(CN(C)[C@H]2CN(Cc3ccccc3)CC[C@H]2C)no1
InChIInChI=1S/C18H26N4O/c1-14-9-10-22(11-16-7-5-4-6-8-16)12-17(14)21(3)13-18-19-15(2)23-20-18/h4-8,14,17H,9-13H2,1-3H3/t14-,17+/m1/s1
InChIKeyGZRIAYGVMBDKET-PBHICJAKSA-N
MW314.43 g/mol
LogP2.72
Rot. Bonds5

About (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

(3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine (PubChem CID 166601420) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
PubChem CID166601420
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
SMILESCc1nc(CN(C)[C@H]2CN(Cc3ccccc3)CC[C@H]2C)no1
InChIInChI=1S/C18H26N4O/c1-14-9-10-22(11-16-7-5-4-6-8-16)12-17(14)21(3)13-18-19-15(2)23-20-18/h4-8,14,17H,9-13H2,1-3H3/t14-,17+/m1/s1
InChIKeyGZRIAYGVMBDKET-PBHICJAKSA-N
XLogP2.72
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 97074188
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
N-methyl-3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 71872721
3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 106408561
(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 96512063
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856
N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074208
(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 96560100
3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide
CID 154814702
1-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1-methylurea
CID 53235419
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 98773676
N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 155975492

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine (CID 166601420) is (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine is Cc1nc(CN(C)[C@H]2CN(Cc3ccccc3)CC[C@H]2C)no1.
What is the InChIKey of (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is GZRIAYGVMBDKET-PBHICJAKSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-9-10-22(11-16-7-5-4-6-8-16)12-17(14)21(3)13-18-19-15(2)23-20-18/h4-8,14,17H,9-13H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
(3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 314.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 166601420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).