3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide

C12H23N3O2 — CID 55033831

IUPAC3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide
SMILESCC(C)(C)NCCC(=O)NC1CCCNC1=O
InChIInChI=1S/C12H23N3O2/c1-12(2,3)14-8-6-10(16)15-9-5-4-7-13-11(9)17/h9,14H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyNETOOUDAYIKELZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.16
Rot. Bonds4

About 3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide

3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide (PubChem CID 55033831) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide
PubChem CID55033831
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide
SMILESCC(C)(C)NCCC(=O)NC1CCCNC1=O
InChIInChI=1S/C12H23N3O2/c1-12(2,3)14-8-6-10(16)15-9-5-4-7-13-11(9)17/h9,14H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyNETOOUDAYIKELZ-UHFFFAOYSA-N
XLogP0.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 49495846
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
2-amino-2-methyl-N-(2-oxopiperidin-3-yl)propanamide
CID 62092380
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506
3-amino-2,2-dimethyl-N-(2-oxopiperidin-3-yl)propanamide;hydrochloride
CID 119756732
2-(2-methoxyethylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 79281089

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide (CID 55033831) is 3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide is CC(C)(C)NCCC(=O)NC1CCCNC1=O.
What is the InChIKey of 3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide?
The InChIKey is NETOOUDAYIKELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)14-8-6-10(16)15-9-5-4-7-13-11(9)17/h9,14H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide?
3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 55033831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).