N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide

C19H36N4O3 — CID 42724923

IUPACN-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C(=O)C(NC(=O)CC)C(C)CC)CC1C
InChIInChI=1S/C19H36N4O3/c1-6-9-10-20-19(26)23-12-11-22(13-15(23)5)18(25)17(14(4)7-2)21-16(24)8-3/h14-15,17H,6-13H2,1-5H3,(H,20,26)(H,21,24)
InChIKeyGFRYINVDSSLIRI-UHFFFAOYSA-N
MW368.52 g/mol
LogP1.97
Rot. Bonds8

About N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide

N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide (PubChem CID 42724923) has the molecular formula C19H36N4O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide
PubChem CID42724923
Molecular FormulaC19H36N4O3
Molecular Weight368.52 g/mol
Exact Mass368.28
IUPAC NameN-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C(=O)C(NC(=O)CC)C(C)CC)CC1C
InChIInChI=1S/C19H36N4O3/c1-6-9-10-20-19(26)23-12-11-22(13-15(23)5)18(25)17(14(4)7-2)21-16(24)8-3/h14-15,17H,6-13H2,1-5H3,(H,20,26)(H,21,24)
InChIKeyGFRYINVDSSLIRI-UHFFFAOYSA-N
XLogP1.97
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
CID 42710406
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
CID 42707755
2-chloro-N-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]acetamide
CID 4316747
N-ethyl-2-methyl-4-[3-methyl-2-(octanoylamino)butanoyl]piperazine-1-carboxamide
CID 42708174
N-[3-methyl-1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
CID 42706669
N-butyl-2-methyl-4-[3-methyl-2-[(3-nitrobenzoyl)amino]pentanoyl]piperazine-1-carboxamide
CID 42724930
ethyl 4-[[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoate
CID 42707635
4-[2-(3-cyclopentylpropanoylamino)-3-methylpentanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 42724893
6-amino-N-[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
CID 42764522
2-methyl-4-[3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 4539298
(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
CID 27255411
N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide
CID 4587553

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide?
The IUPAC name of N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide (CID 42724923) is N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide is CCCCNC(=O)N1CCN(C(=O)C(NC(=O)CC)C(C)CC)CC1C.
What is the InChIKey of N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide?
The InChIKey is GFRYINVDSSLIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3/c1-6-9-10-20-19(26)23-12-11-22(13-15(23)5)18(25)17(14(4)7-2)21-16(24)8-3/h14-15,17H,6-13H2,1-5H3,(H,20,26)(H,21,24).
What are the key properties of N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide?
N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 42724923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).