4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide

C12H21N3O3 — CID 83098043

IUPAC4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)C1CNC1
InChIInChI=1S/C12H21N3O3/c1-8(2)14-11(16)10-7-18-4-3-15(10)12(17)9-5-13-6-9/h8-10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyIOOCAROSMMUJKZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.04
Rot. Bonds3

About 4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83098043) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83098043
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)C1CNC1
InChIInChI=1S/C12H21N3O3/c1-8(2)14-11(16)10-7-18-4-3-15(10)12(17)9-5-13-6-9/h8-10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyIOOCAROSMMUJKZ-UHFFFAOYSA-N
XLogP-1.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-oxopiperidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105143
4-(5-methylpiperazine-2-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83101075
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
N-propan-2-yl-4-(1,3-thiazolidine-4-carbonyl)morpholine-3-carboxamide
CID 83098467
4-[4-(methylamino)oxolane-3-carbonyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098461
4-(2-piperidin-3-ylacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099192
4-(4-aminocyclopent-2-ene-1-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097662
4-(4-hydroxypyrrolidin-3-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83100709
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
CID 116657490
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83098043) is 4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1C(=O)C1CNC1.
What is the InChIKey of 4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is IOOCAROSMMUJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)14-11(16)10-7-18-4-3-15(10)12(17)9-5-13-6-9/h8-10,13H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83098043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).