N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide

C12H21N3O4 — CID 112686353

IUPACN-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCNC(=O)CCNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H21N3O4/c1-19-7-6-13-11(17)4-5-14-12(18)9-2-3-10(16)15-8-9/h9H,2-8H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyHQTIZVGRUWYCNO-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.22
Rot. Bonds7

About N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide

N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide (PubChem CID 112686353) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
PubChem CID112686353
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCNC(=O)CCNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H21N3O4/c1-19-7-6-13-11(17)4-5-14-12(18)9-2-3-10(16)15-8-9/h9H,2-8H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyHQTIZVGRUWYCNO-UHFFFAOYSA-N
XLogP-1.22
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
CID 112728621
N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide
CID 78978293
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide
CID 112728892
N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
CID 103617435
N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide
CID 62898102
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
N-[3-(dimethylamino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 78983149
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide (CID 112686353) is N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide is COCCNC(=O)CCNC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is HQTIZVGRUWYCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-19-7-6-13-11(17)4-5-14-12(18)9-2-3-10(16)15-8-9/h9H,2-8H2,1H3,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide?
N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of -1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112686353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).