(1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine

C18H30N6O2 — CID 129336240

IUPAC(1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
SMILESCOCc1noc([C@@H](C)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C18H30N6O2/c1-13(18-20-16(12-25-5)21-26-18)23(3)10-14-7-6-8-22(2)17(14)15-9-19-24(4)11-15/h9,11,13-14,17H,6-8,10,12H2,1-5H3/t13-,14+,17-/m1/s1
InChIKeyJWYLPSPLNRTCEP-JKIFEVAISA-N
MW362.48 g/mol
LogP2.03
Rot. Bonds7

About (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine

(1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 129336240) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID129336240
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name(1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
SMILESCOCc1noc([C@@H](C)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C18H30N6O2/c1-13(18-20-16(12-25-5)21-26-18)23(3)10-14-7-6-8-22(2)17(14)15-9-19-24(4)11-15/h9,11,13-14,17H,6-8,10,12H2,1-5H3/t13-,14+,17-/m1/s1
InChIKeyJWYLPSPLNRTCEP-JKIFEVAISA-N
XLogP2.03
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128968536
(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine
CID 129342366
4-[1-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]ethyl]benzonitrile
CID 128998474
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128966899
1-(1,3-benzoxazol-2-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylethanamine
CID 128967992
3-(1-methoxybutan-2-yl)-1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]urea
CID 128997167
N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]but-2-en-1-amine
CID 128994586
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 128998321
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
CID 128984569
2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol
CID 109397889
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea
CID 128968430
5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 128997694

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine (CID 129336240) is (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine is COCc1noc([C@@H](C)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1.
What is the InChIKey of (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is JWYLPSPLNRTCEP-JKIFEVAISA-N. The full InChI is InChI=1S/C18H30N6O2/c1-13(18-20-16(12-25-5)21-26-18)23(3)10-14-7-6-8-22(2)17(14)15-9-19-24(4)11-15/h9,11,13-14,17H,6-8,10,12H2,1-5H3/t13-,14+,17-/m1/s1.
What are the key properties of (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine?
(1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 362.48 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 129336240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).