N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide

C12H22N2O4 — CID 112728621

IUPACN-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCOCCCNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H22N2O4/c1-17-7-8-18-6-2-5-13-12(16)10-3-4-11(15)14-9-10/h10H,2-9H2,1H3,(H,13,16)(H,14,15)
InChIKeyKIUPCRHAMDMAKJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.32
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide

N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide (PubChem CID 112728621) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
PubChem CID112728621
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCOCCCNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H22N2O4/c1-17-7-8-18-6-2-5-13-12(16)10-3-4-11(15)14-9-10/h10H,2-9H2,1H3,(H,13,16)(H,14,15)
InChIKeyKIUPCRHAMDMAKJ-UHFFFAOYSA-N
XLogP-0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.32
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

N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide
CID 78978293
N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112686353
N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide
CID 107435769
N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
CID 103617435
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide
CID 112728892
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 73419587
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 78924914

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide (CID 112728621) is N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide is COCCOCCCNC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is KIUPCRHAMDMAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-17-7-8-18-6-2-5-13-12(16)10-3-4-11(15)14-9-10/h10H,2-9H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide?
N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112728621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).