1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide

C16H30N4O3 — CID 134046328

IUPAC1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-5-8-17-14(22)12-6-9-20(10-7-12)11-13(21)18-15(23)19-16(2,3)4/h12H,5-11H2,1-4H3,(H,17,22)(H2,18,19,21,23)
InChIKeyCJNCFKCACSRPGS-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.85
Rot. Bonds5

About 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide

1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide (PubChem CID 134046328) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
PubChem CID134046328
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-5-8-17-14(22)12-6-9-20(10-7-12)11-13(21)18-15(23)19-16(2,3)4/h12H,5-11H2,1-4H3,(H,17,22)(H2,18,19,21,23)
InChIKeyCJNCFKCACSRPGS-UHFFFAOYSA-N
XLogP0.85
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55911947
2-[4-[[[amino(propylamino)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide;hydroiodide
CID 111859814
2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 62654269
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046327
N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55738197
1-(3-hydroxypropyl)-N-propylpiperidine-4-carboxamide
CID 110884748
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86920153
N-(tert-butylcarbamoyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999296
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51171979
1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 58055825

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide (CID 134046328) is 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1.
What is the InChIKey of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is CJNCFKCACSRPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-5-8-17-14(22)12-6-9-20(10-7-12)11-13(21)18-15(23)19-16(2,3)4/h12H,5-11H2,1-4H3,(H,17,22)(H2,18,19,21,23).
What are the key properties of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 134046328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).