3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide

C14H28N2O — CID 79886443

IUPAC3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide
SMILESCC1CNCCC1NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-10-9-15-7-6-12(10)16-13(17)8-11(2)14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyLNGURUDCQJUIMV-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.17
Rot. Bonds3

About 3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide

3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide (PubChem CID 79886443) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide
PubChem CID79886443
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide
SMILESCC1CNCCC1NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-10-9-15-7-6-12(10)16-13(17)8-11(2)14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyLNGURUDCQJUIMV-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554584
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide
CID 63833653
3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553755
N-cyclopropyl-3,4,4-trimethylpentanamide
CID 63820853
3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553500
2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120553416
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
3,4,4-trimethyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 55260130
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957
3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide
CID 43603556
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide?
The IUPAC name of 3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide (CID 79886443) is 3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide is CC1CNCCC1NC(=O)CC(C)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide?
The InChIKey is LNGURUDCQJUIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10-9-15-7-6-12(10)16-13(17)8-11(2)14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide?
3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 79886443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).