1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide

C17H33N3O2 — CID 58055825

IUPAC1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H33N3O2/c1-16(2,3)19-14(21)7-10-18-15(22)13-8-11-20(12-9-13)17(4,5)6/h13H,7-12H2,1-6H3,(H,18,22)(H,19,21)
InChIKeyAYAMBHVOYSAUHO-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.92
Rot. Bonds4

About 1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide

1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 58055825) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID58055825
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H33N3O2/c1-16(2,3)19-14(21)7-10-18-15(22)13-8-11-20(12-9-13)17(4,5)6/h13H,7-12H2,1-6H3,(H,18,22)(H,19,21)
InChIKeyAYAMBHVOYSAUHO-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide (CID 58055825) is 1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide is CC(C)(C)NC(=O)CCNC(=O)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is AYAMBHVOYSAUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-16(2,3)19-14(21)7-10-18-15(22)13-8-11-20(12-9-13)17(4,5)6/h13H,7-12H2,1-6H3,(H,18,22)(H,19,21).
What are the key properties of 1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide?
1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 58055825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).