2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide

C14H25N3O4 — CID 167933775

IUPAC2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide
SMILESO=C1CCCCN1CCCNC(=O)N1CCOC(CO)C1
InChIInChI=1S/C14H25N3O4/c18-11-12-10-17(8-9-21-12)14(20)15-5-3-7-16-6-2-1-4-13(16)19/h12,18H,1-11H2,(H,15,20)
InChIKeyRJFJQMKSSMHNPB-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.21
Rot. Bonds5

About 2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide

2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide (PubChem CID 167933775) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide
PubChem CID167933775
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide
SMILESO=C1CCCCN1CCCNC(=O)N1CCOC(CO)C1
InChIInChI=1S/C14H25N3O4/c18-11-12-10-17(8-9-21-12)14(20)15-5-3-7-16-6-2-1-4-13(16)19/h12,18H,1-11H2,(H,15,20)
InChIKeyRJFJQMKSSMHNPB-UHFFFAOYSA-N
XLogP-0.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
CID 95270738
2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 96998898
5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide
CID 71924014
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
N-cyclopentyl-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79832616
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
1-ethyl-3-[3-(2-oxoazepan-1-yl)propyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137950
1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 26405708
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
1-[3-oxo-3-[2-(2-phenylethyl)morpholin-4-yl]propyl]azepan-2-one
CID 45227906

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide (CID 167933775) is 2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide is O=C1CCCCN1CCCNC(=O)N1CCOC(CO)C1.
What is the InChIKey of 2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide?
The InChIKey is RJFJQMKSSMHNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c18-11-12-10-17(8-9-21-12)14(20)15-5-3-7-16-6-2-1-4-13(16)19/h12,18H,1-11H2,(H,15,20).
What are the key properties of 2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide?
2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide is sourced from PubChem (CID 167933775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).