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

C14H29ClN2O — CID 120567172

IUPAC3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride
SMILESCC(CC(=O)NC1(C)CCNCC1)C(C)(C)C.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(13(2,3)4)10-12(17)16-14(5)6-8-15-9-7-14;/h11,15H,6-10H2,1-5H3,(H,16,17);1H
InChIKeySFTUMZJRJBVSMG-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.74
Rot. Bonds3

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

3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride (PubChem CID 120567172) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride
PubChem CID120567172
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride
SMILESCC(CC(=O)NC1(C)CCNCC1)C(C)(C)C.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(13(2,3)4)10-12(17)16-14(5)6-8-15-9-7-14;/h11,15H,6-10H2,1-5H3,(H,16,17);1H
InChIKeySFTUMZJRJBVSMG-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride?
The IUPAC name of 3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride (CID 120567172) is 3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride.
What is the SMILES notation for 3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride?
The canonical SMILES for 3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride is CC(CC(=O)NC1(C)CCNCC1)C(C)(C)C.Cl.
What is the InChIKey of 3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride?
The InChIKey is SFTUMZJRJBVSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-11(13(2,3)4)10-12(17)16-14(5)6-8-15-9-7-14;/h11,15H,6-10H2,1-5H3,(H,16,17);1H.
What are the key properties of 3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride?
3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.74, 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-(4-methylpiperidin-4-yl)pentanamide;hydrochloride is sourced from PubChem (CID 120567172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).