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

C19H28N4O — CID 97074188

IUPAC(3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
SMILESCc1nc(CN(C)C2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)no1
InChIInChI=1S/C19H28N4O/c1-14-10-23(12-17-8-6-5-7-9-17)11-15(2)19(14)22(4)13-18-20-16(3)24-21-18/h5-9,14-15,19H,10-13H2,1-4H3/t14-,15+,19?
InChIKeyJNYDPQHDNJOEPE-RTHVDDQRSA-N
MW328.46 g/mol
LogP2.97
Rot. Bonds5

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

(3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine (PubChem CID 97074188) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
PubChem CID97074188
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
SMILESCc1nc(CN(C)C2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)no1
InChIInChI=1S/C19H28N4O/c1-14-10-23(12-17-8-6-5-7-9-17)11-15(2)19(14)22(4)13-18-20-16(3)24-21-18/h5-9,14-15,19H,10-13H2,1-4H3/t14-,15+,19?
InChIKeyJNYDPQHDNJOEPE-RTHVDDQRSA-N
XLogP2.97
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 166601420
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 138034530
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
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
N-methyl-3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 71872721
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953
(2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide
CID 124841808
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of (3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine (CID 97074188) is (3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for (3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for (3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine is Cc1nc(CN(C)C2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)no1.
What is the InChIKey of (3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is JNYDPQHDNJOEPE-RTHVDDQRSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-10-23(12-17-8-6-5-7-9-17)11-15(2)19(14)22(4)13-18-20-16(3)24-21-18/h5-9,14-15,19H,10-13H2,1-4H3/t14-,15+,19?.
What are the key properties of (3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
(3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 328.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 97074188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).