4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride

C15H31ClN2O2 — CID 119820271

IUPAC4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC(C)(C)CC(C)C)CCNCC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-12(2)10-14(3,4)11-17-13(18)15(19-5)6-8-16-9-7-15;/h12,16H,6-11H2,1-5H3,(H,17,18);1H
InChIKeyNBXQVWVAPMULTJ-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.37
Rot. Bonds6

About 4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride

4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119820271) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119820271
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC Name4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC(C)(C)CC(C)C)CCNCC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-12(2)10-14(3,4)11-17-13(18)15(19-5)6-8-16-9-7-15;/h12,16H,6-11H2,1-5H3,(H,17,18);1H
InChIKeyNBXQVWVAPMULTJ-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677
4-methoxy-N-(4-methoxy-4-methylpentan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119803249
4-methoxy-N-(4-methoxy-4-methylpentan-2-yl)piperidine-4-carboxamide
CID 119803250
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457
ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate
CID 119706107
4-methoxy-N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119674910
4-methoxy-N-(6-methylheptan-2-yl)piperidine-4-carboxamide
CID 119673358
N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119783577
N-[(2,2-dimethylcyclopropyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785421
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide
CID 114284552
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride (CID 119820271) is 4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCC(C)(C)CC(C)C)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is NBXQVWVAPMULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-12(2)10-14(3,4)11-17-13(18)15(19-5)6-8-16-9-7-15;/h12,16H,6-11H2,1-5H3,(H,17,18);1H.
What are the key properties of 4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119820271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).