1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C17H32N4O4 — CID 55911947

IUPAC1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)NC(=O)CN1CCC(C(=O)NCCCOC)CC1
InChIInChI=1S/C17H32N4O4/c1-3-4-8-19-17(24)20-15(22)13-21-10-6-14(7-11-21)16(23)18-9-5-12-25-2/h14H,3-13H2,1-2H3,(H,18,23)(H2,19,20,22,24)
InChIKeyDZRDDKIYGLBYMR-UHFFFAOYSA-N
MW356.47 g/mol
LogP0.48
Rot. Bonds10

About 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 55911947) has the molecular formula C17H32N4O4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID55911947
Molecular FormulaC17H32N4O4
Molecular Weight356.47 g/mol
Exact Mass356.24
IUPAC Name1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)NC(=O)CN1CCC(C(=O)NCCCOC)CC1
InChIInChI=1S/C17H32N4O4/c1-3-4-8-19-17(24)20-15(22)13-21-10-6-14(7-11-21)16(23)18-9-5-12-25-2/h14H,3-13H2,1-2H3,(H,18,23)(H2,19,20,22,24)
InChIKeyDZRDDKIYGLBYMR-UHFFFAOYSA-N
XLogP0.48
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55909529
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046328
N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
CID 55988482
[(E)-[4-(butylcarbamoyl)piperidin-1-yl]methoxymethylidenehydrazinylidene]azanide
CID 59123598
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(butylcarbamoyl)acetamide
CID 11932062
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide
CID 9166096
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 55911947) is 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is CCCCNC(=O)NC(=O)CN1CCC(C(=O)NCCCOC)CC1.
What is the InChIKey of 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is DZRDDKIYGLBYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4/c1-3-4-8-19-17(24)20-15(22)13-21-10-6-14(7-11-21)16(23)18-9-5-12-25-2/h14H,3-13H2,1-2H3,(H,18,23)(H2,19,20,22,24).
What are the key properties of 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 0.48, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55911947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).