N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide

C12H23N3O2 — CID 106981151

IUPACN-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NN2CCOCC2)CCNC1
InChIInChI=1S/C12H23N3O2/c1-10(2)12(3-4-13-9-12)11(16)14-15-5-7-17-8-6-15/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeySCLSUSBPLUMFEK-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.01
Rot. Bonds3

About N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide

N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981151) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981151
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NN2CCOCC2)CCNC1
InChIInChI=1S/C12H23N3O2/c1-10(2)12(3-4-13-9-12)11(16)14-15-5-7-17-8-6-15/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeySCLSUSBPLUMFEK-UHFFFAOYSA-N
XLogP-0.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981151) is N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NN2CCOCC2)CCNC1.
What is the InChIKey of N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is SCLSUSBPLUMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(2)12(3-4-13-9-12)11(16)14-15-5-7-17-8-6-15/h10,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide?
N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).