4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride

C17H32ClN3O2 — CID 119464087

IUPAC4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride
SMILESCC(C)CC(C(=O)NCC1CCCNC1)N1CCCCC1=O.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-13(2)10-15(20-9-4-3-7-16(20)21)17(22)19-12-14-6-5-8-18-11-14;/h13-15,18H,3-12H2,1-2H3,(H,19,22);1H
InChIKeyXFNTZOMWLQXAJB-UHFFFAOYSA-N
MW345.92 g/mol
LogP1.95
Rot. Bonds6

About 4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride

4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride (PubChem CID 119464087) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is 4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride
PubChem CID119464087
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC Name4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride
SMILESCC(C)CC(C(=O)NCC1CCCNC1)N1CCCCC1=O.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-13(2)10-15(20-9-4-3-7-16(20)21)17(22)19-12-14-6-5-8-18-11-14;/h13-15,18H,3-12H2,1-2H3,(H,19,22);1H
InChIKeyXFNTZOMWLQXAJB-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylpentanamide
CID 119428669
N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 119478575
N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 75425497
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119558817
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535176
3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464085
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 75425524
3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide
CID 119464375

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride?
The IUPAC name of 4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride (CID 119464087) is 4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride?
The canonical SMILES for 4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride is CC(C)CC(C(=O)NCC1CCCNC1)N1CCCCC1=O.Cl.
What is the InChIKey of 4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride?
The InChIKey is XFNTZOMWLQXAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-13(2)10-15(20-9-4-3-7-16(20)21)17(22)19-12-14-6-5-8-18-11-14;/h13-15,18H,3-12H2,1-2H3,(H,19,22);1H.
What are the key properties of 4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride?
4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride is sourced from PubChem (CID 119464087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).