2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide

C18H27N3O4 — CID 95182232

IUPAC2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CCN(CC(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C18H27N3O4/c1-13-16(6-10-24-13)18(23)20-14-4-7-21(8-5-14)12-17(22)19-11-15-3-2-9-25-15/h6,10,14-15H,2-5,7-9,11-12H2,1H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyCYHFPRIXWNXRKI-OAHLLOKOSA-N
MW349.43 g/mol
LogP1.08
Rot. Bonds6

About 2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide

2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 95182232) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide
PubChem CID95182232
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CCN(CC(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C18H27N3O4/c1-13-16(6-10-24-13)18(23)20-14-4-7-21(8-5-14)12-17(22)19-11-15-3-2-9-25-15/h6,10,14-15H,2-5,7-9,11-12H2,1H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyCYHFPRIXWNXRKI-OAHLLOKOSA-N
XLogP1.08
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide (CID 95182232) is 2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide is Cc1occc1C(=O)NC1CCN(CC(=O)NC[C@H]2CCCO2)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide?
The InChIKey is CYHFPRIXWNXRKI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13-16(6-10-24-13)18(23)20-14-4-7-21(8-5-14)12-17(22)19-11-15-3-2-9-25-15/h6,10,14-15H,2-5,7-9,11-12H2,1H3,(H,19,22)(H,20,23)/t15-/m1/s1.
What are the key properties of 2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide?
2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 95182232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).