[(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C19H35N3O2 — CID 56860189

IUPAC[(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CN1C[C@@H](CN2CCOCC2)C[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C19H35N3O2/c1-16(2)12-21-14-17(13-20-7-9-24-10-8-20)11-18(15-21)19(23)22-5-3-4-6-22/h16-18H,3-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyTYSRIWQXPPRCMZ-QZTJIDSGSA-N
MW337.51 g/mol
LogP1.54
Rot. Bonds5

About [(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56860189) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is [(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID56860189
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name[(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CN1C[C@@H](CN2CCOCC2)C[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C19H35N3O2/c1-16(2)12-21-14-17(13-20-7-9-24-10-8-20)11-18(15-21)19(23)22-5-3-4-6-22/h16-18H,3-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyTYSRIWQXPPRCMZ-QZTJIDSGSA-N
XLogP1.54
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 56860189) is [(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is CC(C)CN1C[C@@H](CN2CCOCC2)C[C@@H](C(=O)N2CCCC2)C1.
What is the InChIKey of [(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is TYSRIWQXPPRCMZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-16(2)12-21-14-17(13-20-7-9-24-10-8-20)11-18(15-21)19(23)22-5-3-4-6-22/h16-18H,3-15H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of [(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 337.51 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56860189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).