N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride

C17H34ClN3O2 — CID 119668332

IUPACN-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(CC(C)C)N1CCCCC1=O.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-4-5-8-14(12-18)19-17(22)15(11-13(2)3)20-10-7-6-9-16(20)21;/h13-15H,4-12,18H2,1-3H3,(H,19,22);1H
InChIKeyMEPANWIOLVCTHF-UHFFFAOYSA-N
MW347.93 g/mol
LogP2.47
Rot. Bonds9

About N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride

N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride (PubChem CID 119668332) has the molecular formula C17H34ClN3O2 and a molecular weight of 347.93 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
PubChem CID119668332
Molecular FormulaC17H34ClN3O2
Molecular Weight347.93 g/mol
Exact Mass347.23
IUPAC NameN-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(CC(C)C)N1CCCCC1=O.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-4-5-8-14(12-18)19-17(22)15(11-13(2)3)20-10-7-6-9-16(20)21;/h13-15H,4-12,18H2,1-3H3,(H,19,22);1H
InChIKeyMEPANWIOLVCTHF-UHFFFAOYSA-N
XLogP2.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride (CID 119668332) is N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride is CCCCC(CN)NC(=O)C(CC(C)C)N1CCCCC1=O.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
The InChIKey is MEPANWIOLVCTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.ClH/c1-4-5-8-14(12-18)19-17(22)15(11-13(2)3)20-10-7-6-9-16(20)21;/h13-15H,4-12,18H2,1-3H3,(H,19,22);1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119668332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).