N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide

C21H37N3O3 — CID 42707755

IUPACN-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
SMILESCCCCCC(=O)NC(C(=O)N1CCN(C(=O)C2CC2)C(C)C1)C(C)CC
InChIInChI=1S/C21H37N3O3/c1-5-7-8-9-18(25)22-19(15(3)6-2)21(27)23-12-13-24(16(4)14-23)20(26)17-10-11-17/h15-17,19H,5-14H2,1-4H3,(H,22,25)
InChIKeyPDZUSLDETGPURL-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.57
Rot. Bonds9

About N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide

N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide (PubChem CID 42707755) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
PubChem CID42707755
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC NameN-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
SMILESCCCCCC(=O)NC(C(=O)N1CCN(C(=O)C2CC2)C(C)C1)C(C)CC
InChIInChI=1S/C21H37N3O3/c1-5-7-8-9-18(25)22-19(15(3)6-2)21(27)23-12-13-24(16(4)14-23)20(26)17-10-11-17/h15-17,19H,5-14H2,1-4H3,(H,22,25)
InChIKeyPDZUSLDETGPURL-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide 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-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]hexanamide
CID 42706572
N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide
CID 134089906
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 42707760
2-chloro-N-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]acetamide
CID 4316747
N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide
CID 42724923
6-amino-N-[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
CID 42764522
N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide
CID 42707667
1-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-phenylurea
CID 42708327
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
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide (CID 42707755) is N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide is CCCCCC(=O)NC(C(=O)N1CCN(C(=O)C2CC2)C(C)C1)C(C)CC.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide?
The InChIKey is PDZUSLDETGPURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-5-7-8-9-18(25)22-19(15(3)6-2)21(27)23-12-13-24(16(4)14-23)20(26)17-10-11-17/h15-17,19H,5-14H2,1-4H3,(H,22,25).
What are the key properties of N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide?
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide has a molecular weight of 379.55 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide is sourced from PubChem (CID 42707755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).