2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide

C18H28N4O2 — CID 119861312

IUPAC2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N4O2/c1-4-13(2)16(19)17(23)20-15-7-5-14(6-8-15)18(24)22-11-9-21(3)10-12-22/h5-8,13,16H,4,9-12,19H2,1-3H3,(H,20,23)
InChIKeyRAMIXWXEXIEBHJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide

2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide (PubChem CID 119861312) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
PubChem CID119861312
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N4O2/c1-4-13(2)16(19)17(23)20-15-7-5-14(6-8-15)18(24)22-11-9-21(3)10-12-22/h5-8,13,16H,4,9-12,19H2,1-3H3,(H,20,23)
InChIKeyRAMIXWXEXIEBHJ-UHFFFAOYSA-N
XLogP1.39
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
CID 119761284
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 110609674
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
2-chloroethyl N-[4-(4-methylpiperazine-1-carbonyl)phenyl]carbamate
CID 108741130
3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 110616962

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide (CID 119861312) is 2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide is CCC(C)C(N)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide?
The InChIKey is RAMIXWXEXIEBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-13(2)16(19)17(23)20-15-7-5-14(6-8-15)18(24)22-11-9-21(3)10-12-22/h5-8,13,16H,4,9-12,19H2,1-3H3,(H,20,23).
What are the key properties of 2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide?
2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide has a molecular weight of 332.45 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide is sourced from PubChem (CID 119861312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).