3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide

C16H32N2O — CID 3065264

IUPAC3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCN1CCCCC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)13-16(4,5)17-14(19)9-12-18-10-7-6-8-11-18/h6-13H2,1-5H3,(H,17,19)
InChIKeyZLOJCRXWOPWQOA-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.19
Rot. Bonds5

About 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide

3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 3065264) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID3065264
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCN1CCCCC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)13-16(4,5)17-14(19)9-12-18-10-7-6-8-11-18/h6-13H2,1-5H3,(H,17,19)
InChIKeyZLOJCRXWOPWQOA-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidinepropionamide, N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3065263
Propionamide, 3-(dimethylamino)-N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3024638
1-Piperidinepropionamide, N-tert-pentyl-, hydrochloride
CID 24842768
N-t-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 101885243
3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3024639
N-(1,1-Dimethyloctyl)-1-piperidinepropionamide hydrochloride
CID 24842761
N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide
CID 24842769
3,3,5,5-Tetramethyl-1-(2,4,4-trimethylpentan-2-yl)piperazin-2-one
CID 19606678
N-tert-butyl-1-methyl-4-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 23388585
2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide
CID 54256150
1-Tert-butyl-3-methylpiperidine-3-carboxamide
CID 57698830
N-(1,4-dimethylpiperidin-4-yl)-2,2-dimethylpropanamide
CID 58562024

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 3065264) is 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide is CC(C)(C)CC(C)(C)NC(=O)CCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is ZLOJCRXWOPWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)13-16(4,5)17-14(19)9-12-18-10-7-6-8-11-18/h6-13H2,1-5H3,(H,17,19).
What are the key properties of 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 268.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 3065264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).