2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone

C18H31N5O2 — CID 129004021

IUPAC2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C18H31N5O2/c1-20(14-17(24)23-7-9-25-10-8-23)12-15-5-4-6-21(2)18(15)16-11-19-22(3)13-16/h11,13,15,18H,4-10,12,14H2,1-3H3/t15-,18+/m0/s1
InChIKeyQNUWPAUDNJRTPX-MAUKXSAKSA-N
MW349.48 g/mol
LogP0.59
Rot. Bonds5

About 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone

2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone (PubChem CID 129004021) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone
PubChem CID129004021
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C18H31N5O2/c1-20(14-17(24)23-7-9-25-10-8-23)12-15-5-4-6-21(2)18(15)16-11-19-22(3)13-16/h11,13,15,18H,4-10,12,14H2,1-3H3/t15-,18+/m0/s1
InChIKeyQNUWPAUDNJRTPX-MAUKXSAKSA-N
XLogP0.59
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone (CID 129004021) is 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1.
What is the InChIKey of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone?
The InChIKey is QNUWPAUDNJRTPX-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-20(14-17(24)23-7-9-25-10-8-23)12-15-5-4-6-21(2)18(15)16-11-19-22(3)13-16/h11,13,15,18H,4-10,12,14H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone?
2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone has a molecular weight of 349.48 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 129004021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).