3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C15H31ClN2O2 — CID 119464085

IUPAC3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCC(C)CC(C)OCCC(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-12(2)9-13(3)19-8-6-15(18)17-11-14-5-4-7-16-10-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H
InChIKeyZHPITJCTXTVVJL-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.37
Rot. Bonds8

About 3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119464085) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119464085
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC Name3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCC(C)CC(C)OCCC(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-12(2)9-13(3)19-8-6-15(18)17-11-14-5-4-7-16-10-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H
InChIKeyZHPITJCTXTVVJL-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119514198
3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide
CID 119453788
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119464478
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119464085) is 3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is CC(C)CC(C)OCCC(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is ZHPITJCTXTVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-12(2)9-13(3)19-8-6-15(18)17-11-14-5-4-7-16-10-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119464085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).