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

C19H30ClN3O2 — CID 119529433

IUPACN-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
SMILESCC(C)CC(C(=O)NCC(N)c1ccccc1)N1CCCCC1=O.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)12-17(22-11-7-6-10-18(22)23)19(24)21-13-16(20)15-8-4-3-5-9-15;/h3-5,8-9,14,16-17H,6-7,10-13,20H2,1-2H3,(H,21,24);1H
InChIKeyKPQNEBJHBDURES-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.65
Rot. Bonds7

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

N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride (PubChem CID 119529433) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
PubChem CID119529433
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
SMILESCC(C)CC(C(=O)NCC(N)c1ccccc1)N1CCCCC1=O.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)12-17(22-11-7-6-10-18(22)23)19(24)21-13-16(20)15-8-4-3-5-9-15;/h3-5,8-9,14,16-17H,6-7,10-13,20H2,1-2H3,(H,21,24);1H
InChIKeyKPQNEBJHBDURES-UHFFFAOYSA-N
XLogP2.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
CID 119527892
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982
N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 75425497
N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 119478575
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
CID 162152790
(2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 97051485
N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
CID 119668332
4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride
CID 119464087
4-methyl-2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylpentanamide
CID 119428669
N-(2-amino-2-phenylethyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119528091

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride (CID 119529433) is N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride is CC(C)CC(C(=O)NCC(N)c1ccccc1)N1CCCCC1=O.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
The InChIKey is KPQNEBJHBDURES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14(2)12-17(22-11-7-6-10-18(22)23)19(24)21-13-16(20)15-8-4-3-5-9-15;/h3-5,8-9,14,16-17H,6-7,10-13,20H2,1-2H3,(H,21,24);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119529433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).