(3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one

C18H29N3O3 — CID 99853283

IUPAC(3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one
SMILESCc1ccc([C@H](C)N[C@H]2CCCN(CCN3CCOCC3)C2=O)o1
InChIInChI=1S/C18H29N3O3/c1-14-5-6-17(24-14)15(2)19-16-4-3-7-21(18(16)22)9-8-20-10-12-23-13-11-20/h5-6,15-16,19H,3-4,7-13H2,1-2H3/t15-,16-/m0/s1
InChIKeyMXTWLAGJFWIXBT-HOTGVXAUSA-N
MW335.45 g/mol
LogP1.56
Rot. Bonds6

About (3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one

(3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one (PubChem CID 99853283) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one
PubChem CID99853283
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one
SMILESCc1ccc([C@H](C)N[C@H]2CCCN(CCN3CCOCC3)C2=O)o1
InChIInChI=1S/C18H29N3O3/c1-14-5-6-17(24-14)15(2)19-16-4-3-7-21(18(16)22)9-8-20-10-12-23-13-11-20/h5-6,15-16,19H,3-4,7-13H2,1-2H3/t15-,16-/m0/s1
InChIKeyMXTWLAGJFWIXBT-HOTGVXAUSA-N
XLogP1.56
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one?
The IUPAC name of (3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one (CID 99853283) is (3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one is Cc1ccc([C@H](C)N[C@H]2CCCN(CCN3CCOCC3)C2=O)o1.
What is the InChIKey of (3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one?
The InChIKey is MXTWLAGJFWIXBT-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14-5-6-17(24-14)15(2)19-16-4-3-7-21(18(16)22)9-8-20-10-12-23-13-11-20/h5-6,15-16,19H,3-4,7-13H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one?
(3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one is sourced from PubChem (CID 99853283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).