N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide

C29H41N3O3 — CID 42707667

IUPACN-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide
SMILESCCCCCCC(=O)NC(C(=O)N1CCN(C(=O)c2cccc3ccccc23)C(C)C1)C(C)CC
InChIInChI=1S/C29H41N3O3/c1-5-7-8-9-17-26(33)30-27(21(3)6-2)29(35)31-18-19-32(22(4)20-31)28(34)25-16-12-14-23-13-10-11-15-24(23)25/h10-16,21-22,27H,5-9,17-20H2,1-4H3,(H,30,33)
InChIKeyGWALVNUIOQJJRI-UHFFFAOYSA-N
MW479.67 g/mol
LogP5.01
Rot. Bonds10

About N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide

N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide (PubChem CID 42707667) has the molecular formula C29H41N3O3 and a molecular weight of 479.67 g/mol. Its IUPAC name is N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide.

Molecular Properties

Compound NameN-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide
PubChem CID42707667
Molecular FormulaC29H41N3O3
Molecular Weight479.67 g/mol
Exact Mass479.31
IUPAC NameN-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide
SMILESCCCCCCC(=O)NC(C(=O)N1CCN(C(=O)c2cccc3ccccc23)C(C)C1)C(C)CC
InChIInChI=1S/C29H41N3O3/c1-5-7-8-9-17-26(33)30-27(21(3)6-2)29(35)31-18-19-32(22(4)20-31)28(34)25-16-12-14-23-13-10-11-15-24(23)25/h10-16,21-22,27H,5-9,17-20H2,1-4H3,(H,30,33)
InChIKeyGWALVNUIOQJJRI-UHFFFAOYSA-N
XLogP5.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 55.01
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-[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-[3-methyl-1-[3-methyl-4-(2-phenylacetyl)piperazin-1-yl]-1-oxobutan-2-yl]dodecanamide
CID 42706737
6-amino-N-[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
CID 42764522
N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide
CID 42724923
2-methyl-4-[3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 4539298
N-ethyl-2-methyl-4-[3-methyl-2-(octanoylamino)butanoyl]piperazine-1-carboxamide
CID 42708174
N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 42707480
1-benzyl-3-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxobutan-2-yl]urea
CID 4240009
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]hexanamide
CID 42706572
ethyl 4-[[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoate
CID 42707635
N-[1-[4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenoxyacetamide
CID 42708341

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide?
The IUPAC name of N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide (CID 42707667) is N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide.
What is the SMILES notation for N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide?
The canonical SMILES for N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide is CCCCCCC(=O)NC(C(=O)N1CCN(C(=O)c2cccc3ccccc23)C(C)C1)C(C)CC.
What is the InChIKey of N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide?
The InChIKey is GWALVNUIOQJJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O3/c1-5-7-8-9-17-26(33)30-27(21(3)6-2)29(35)31-18-19-32(22(4)20-31)28(34)25-16-12-14-23-13-10-11-15-24(23)25/h10-16,21-22,27H,5-9,17-20H2,1-4H3,(H,30,33).
What are the key properties of N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide?
N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide has a molecular weight of 479.67 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]heptanamide is sourced from PubChem (CID 42707667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).