1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide

C15H27N3O4 — CID 108506628

IUPAC1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESCCCCOCCCNC(=O)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H27N3O4/c1-2-3-10-22-11-4-7-17-14(20)15(21)18-8-5-12(6-9-18)13(16)19/h12H,2-11H2,1H3,(H2,16,19)(H,17,20)
InChIKeyNLNWMDYDVUAVOI-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.03
Rot. Bonds8

About 1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide

1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 108506628) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID108506628
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESCCCCOCCCNC(=O)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H27N3O4/c1-2-3-10-22-11-4-7-17-14(20)15(21)18-8-5-12(6-9-18)13(16)19/h12H,2-11H2,1H3,(H2,16,19)(H,17,20)
InChIKeyNLNWMDYDVUAVOI-UHFFFAOYSA-N
XLogP0.03
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxypropylurea
CID 115575573
N-(3-butoxypropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108506566
N-(3-butoxypropyl)azetidine-1-carboxamide
CID 71943747
1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
CID 56798865
1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108503193
2-(4-methylpiperazin-1-yl)-2-oxo-N-pentylacetamide
CID 108517060
ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504184
1-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 98429495
ethyl 1-[(Z)-3-(3-butoxypropylamino)-2-cyanoprop-2-enoyl]piperidine-4-carboxylate
CID 108831009
methyl 1-[N'-methyl-N-(3-octoxypropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252452
1-[4-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111405435
N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide
CID 111210317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide (CID 108506628) is 1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide is CCCCOCCCNC(=O)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is NLNWMDYDVUAVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-2-3-10-22-11-4-7-17-14(20)15(21)18-8-5-12(6-9-18)13(16)19/h12H,2-11H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-butoxypropylamino)-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 108506628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).