N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide

C19H31N3O — CID 95149857

IUPACN-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide
SMILESCCCCCC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-3-4-6-11-19(23)20-18(17-9-7-5-8-10-17)16-22-14-12-21(2)13-15-22/h5,7-10,18H,3-4,6,11-16H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyLEFLTPTYRPXPQB-SFHVURJKSA-N
MW317.48 g/mol
LogP2.67
Rot. Bonds8

About N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide

N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide (PubChem CID 95149857) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide.

Molecular Properties

Compound NameN-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide
PubChem CID95149857
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide
SMILESCCCCCC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-3-4-6-11-19(23)20-18(17-9-7-5-8-10-17)16-22-14-12-21(2)13-15-22/h5,7-10,18H,3-4,6,11-16H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyLEFLTPTYRPXPQB-SFHVURJKSA-N
XLogP2.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 125175804
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide
CID 119835990
N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide
CID 54327044
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
CID 119835989
[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
CID 67913525
hydroxy-oxo-[2-phenyl-2-(tetradecanoylamino)ethyl]phosphanium
CID 57123775
1-(3-methyl-2-phenylbutyl)-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea
CID 86886133
N-(1,2-diphenylethyl)pentanamide
CID 134014505

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide?
The IUPAC name of N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide (CID 95149857) is N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide.
What is the SMILES notation for N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide?
The canonical SMILES for N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide is CCCCCC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide?
The InChIKey is LEFLTPTYRPXPQB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31N3O/c1-3-4-6-11-19(23)20-18(17-9-7-5-8-10-17)16-22-14-12-21(2)13-15-22/h5,7-10,18H,3-4,6,11-16H2,1-2H3,(H,20,23)/t18-/m0/s1.
What are the key properties of N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide?
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide has a molecular weight of 317.48 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide is sourced from PubChem (CID 95149857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).